USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot 1:sc= 0.661 USER MOD Set 1.2: A 67 ASN : amide:sc= -0.124 X(o=0.54,f=0.46) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.695 (180deg=0.369) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 11 MET CE :methyl 151:sc= -0.0426 (180deg=-0.414) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -118:sc= 0 (180deg=-0.491) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0622 (180deg=-0.272) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00139 (180deg=-0.0865) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 30 THR OG1 : rot -112:sc= 0.163 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc=-0.00638 (180deg=-0.133) USER MOD Single : A 34 TYR OH : rot -86:sc= 0.0736 USER MOD Single : A 42 GLN : amide:sc= 0.0518 K(o=0.052,f=-7.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 51 SER OG : rot 180:sc= -0.12 USER MOD Single : A 54 SER OG : rot -57:sc= 1.25 USER MOD Single : A 55 SER OG : rot 180:sc= -0.376 USER MOD Single : A 59 ASN : amide:sc= 0.0452 X(o=0.045,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 66 THR OG1 : rot -46:sc= 0.814 USER MOD Single : A 78 SER OG : rot -32:sc= 0.921 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -150:sc= 1.11 USER MOD Single : A 97 TYR OH : rot 99:sc= 0.0676 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.091 -0.896 -1.803 1.00 33.22 N ATOM 2 CA MET A 1 3.768 -0.470 -1.362 1.00 12.43 C ATOM 3 C MET A 1 2.676 -1.273 -2.061 1.00 62.40 C ATOM 4 O MET A 1 1.824 -0.713 -2.749 1.00 12.41 O ATOM 5 CB MET A 1 3.572 1.023 -1.635 1.00 4.05 C ATOM 6 CG MET A 1 4.218 1.921 -0.592 1.00 1.02 C ATOM 7 SD MET A 1 5.999 2.082 -0.821 1.00 23.12 S ATOM 8 CE MET A 1 6.198 3.858 -0.695 1.00 32.52 C ATOM 0 H1 MET A 1 5.774 -0.129 -1.642 1.00 33.22 H new ATOM 0 H2 MET A 1 5.382 -1.737 -1.265 1.00 33.22 H new ATOM 0 H3 MET A 1 5.061 -1.127 -2.817 1.00 33.22 H new ATOM 0 HA MET A 1 3.696 -0.649 -0.289 1.00 12.43 H new ATOM 0 HB2 MET A 1 3.985 1.262 -2.615 1.00 4.05 H new ATOM 0 HB3 MET A 1 2.505 1.239 -1.678 1.00 4.05 H new ATOM 0 HG2 MET A 1 3.759 2.909 -0.635 1.00 1.02 H new ATOM 0 HG3 MET A 1 4.018 1.519 0.401 1.00 1.02 H new ATOM 0 HE1 MET A 1 7.250 4.116 -0.816 1.00 32.52 H new ATOM 0 HE2 MET A 1 5.613 4.346 -1.474 1.00 32.52 H new ATOM 0 HE3 MET A 1 5.852 4.194 0.282 1.00 32.52 H new ATOM 18 N ALA A 2 2.709 -2.590 -1.880 1.00 40.35 N ATOM 19 CA ALA A 2 1.721 -3.470 -2.493 1.00 4.32 C ATOM 20 C ALA A 2 0.997 -4.299 -1.438 1.00 75.24 C ATOM 21 O ALA A 2 1.310 -4.221 -0.251 1.00 34.51 O ATOM 22 CB ALA A 2 2.386 -4.378 -3.516 1.00 65.03 C ATOM 0 H ALA A 2 3.409 -3.070 -1.314 1.00 40.35 H new ATOM 0 HA ALA A 2 0.982 -2.850 -3.001 1.00 4.32 H new ATOM 0 HB1 ALA A 2 1.637 -5.030 -3.966 1.00 65.03 H new ATOM 0 HB2 ALA A 2 2.852 -3.771 -4.292 1.00 65.03 H new ATOM 0 HB3 ALA A 2 3.146 -4.985 -3.024 1.00 65.03 H new ATOM 28 N ALA A 3 0.026 -5.092 -1.881 1.00 20.25 N ATOM 29 CA ALA A 3 -0.742 -5.937 -0.975 1.00 34.03 C ATOM 30 C ALA A 3 -0.282 -7.389 -1.055 1.00 14.30 C ATOM 31 O ALA A 3 -0.361 -8.019 -2.110 1.00 43.22 O ATOM 32 CB ALA A 3 -2.228 -5.834 -1.289 1.00 5.31 C ATOM 0 H ALA A 3 -0.247 -5.167 -2.861 1.00 20.25 H new ATOM 0 HA ALA A 3 -0.571 -5.585 0.042 1.00 34.03 H new ATOM 0 HB1 ALA A 3 -2.789 -6.470 -0.605 1.00 5.31 H new ATOM 0 HB2 ALA A 3 -2.554 -4.800 -1.173 1.00 5.31 H new ATOM 0 HB3 ALA A 3 -2.406 -6.158 -2.314 1.00 5.31 H new ATOM 38 N THR A 4 0.199 -7.915 0.067 1.00 73.30 N ATOM 39 CA THR A 4 0.673 -9.292 0.123 1.00 62.10 C ATOM 40 C THR A 4 0.303 -9.948 1.448 1.00 14.13 C ATOM 41 O THR A 4 0.997 -10.847 1.923 1.00 11.34 O ATOM 42 CB THR A 4 2.200 -9.368 -0.065 1.00 61.21 C ATOM 43 OG1 THR A 4 2.848 -8.439 0.810 1.00 45.40 O ATOM 44 CG2 THR A 4 2.583 -9.068 -1.506 1.00 44.23 C ATOM 0 H THR A 4 0.271 -7.408 0.949 1.00 73.30 H new ATOM 0 HA THR A 4 0.186 -9.827 -0.692 1.00 62.10 H new ATOM 0 HB THR A 4 2.524 -10.380 0.177 1.00 61.21 H new ATOM 0 HG1 THR A 4 3.818 -8.495 0.686 1.00 45.40 H new ATOM 0 HG21 THR A 4 3.666 -9.128 -1.615 1.00 44.23 H new ATOM 0 HG22 THR A 4 2.112 -9.795 -2.167 1.00 44.23 H new ATOM 0 HG23 THR A 4 2.246 -8.066 -1.771 1.00 44.23 H new ATOM 52 N VAL A 5 -0.797 -9.493 2.041 1.00 22.32 N ATOM 53 CA VAL A 5 -1.261 -10.038 3.312 1.00 50.53 C ATOM 54 C VAL A 5 -2.666 -9.545 3.640 1.00 70.20 C ATOM 55 O VAL A 5 -2.962 -8.356 3.520 1.00 3.44 O ATOM 56 CB VAL A 5 -0.313 -9.657 4.465 1.00 73.41 C ATOM 57 CG1 VAL A 5 -0.274 -8.148 4.649 1.00 60.05 C ATOM 58 CG2 VAL A 5 -0.737 -10.349 5.752 1.00 11.40 C ATOM 0 H VAL A 5 -1.383 -8.749 1.662 1.00 22.32 H new ATOM 0 HA VAL A 5 -1.275 -11.123 3.206 1.00 50.53 H new ATOM 0 HB VAL A 5 0.693 -9.993 4.212 1.00 73.41 H new ATOM 0 HG11 VAL A 5 0.401 -7.899 5.468 1.00 60.05 H new ATOM 0 HG12 VAL A 5 0.080 -7.679 3.731 1.00 60.05 H new ATOM 0 HG13 VAL A 5 -1.275 -7.784 4.880 1.00 60.05 H new ATOM 0 HG21 VAL A 5 -0.057 -10.069 6.557 1.00 11.40 H new ATOM 0 HG22 VAL A 5 -1.751 -10.045 6.012 1.00 11.40 H new ATOM 0 HG23 VAL A 5 -0.707 -11.429 5.611 1.00 11.40 H new ATOM 68 N CYS A 6 -3.528 -10.467 4.054 1.00 21.04 N ATOM 69 CA CYS A 6 -4.904 -10.127 4.400 1.00 4.03 C ATOM 70 C CYS A 6 -5.197 -10.464 5.859 1.00 44.53 C ATOM 71 O CYS A 6 -5.046 -11.609 6.286 1.00 52.21 O ATOM 72 CB CYS A 6 -5.880 -10.870 3.487 1.00 44.12 C ATOM 73 SG CYS A 6 -7.138 -9.812 2.735 1.00 13.31 S ATOM 0 H CYS A 6 -3.299 -11.455 4.158 1.00 21.04 H new ATOM 0 HA CYS A 6 -5.033 -9.054 4.261 1.00 4.03 H new ATOM 0 HB2 CYS A 6 -5.316 -11.364 2.696 1.00 44.12 H new ATOM 0 HB3 CYS A 6 -6.375 -11.652 4.062 1.00 44.12 H new ATOM 0 HG CYS A 6 -7.914 -10.531 1.979 1.00 13.31 H new ATOM 79 N THR A 7 -5.615 -9.457 6.620 1.00 22.45 N ATOM 80 CA THR A 7 -5.926 -9.645 8.032 1.00 71.32 C ATOM 81 C THR A 7 -7.406 -9.952 8.232 1.00 22.13 C ATOM 82 O THR A 7 -8.251 -9.515 7.451 1.00 72.01 O ATOM 83 CB THR A 7 -5.555 -8.401 8.860 1.00 42.54 C ATOM 84 OG1 THR A 7 -4.890 -7.441 8.030 1.00 24.23 O ATOM 85 CG2 THR A 7 -4.657 -8.776 10.029 1.00 34.31 C ATOM 0 H THR A 7 -5.746 -8.503 6.282 1.00 22.45 H new ATOM 0 HA THR A 7 -5.332 -10.491 8.377 1.00 71.32 H new ATOM 0 HB THR A 7 -6.474 -7.967 9.254 1.00 42.54 H new ATOM 0 HG1 THR A 7 -4.659 -6.652 8.563 1.00 24.23 H new ATOM 0 HG21 THR A 7 -4.409 -7.881 10.599 1.00 34.31 H new ATOM 0 HG22 THR A 7 -5.177 -9.484 10.674 1.00 34.31 H new ATOM 0 HG23 THR A 7 -3.741 -9.232 9.653 1.00 34.31 H new ATOM 93 N ILE A 8 -7.712 -10.705 9.283 1.00 10.25 N ATOM 94 CA ILE A 8 -9.091 -11.068 9.587 1.00 43.22 C ATOM 95 C ILE A 8 -9.441 -10.737 11.034 1.00 63.03 C ATOM 96 O ILE A 8 -8.675 -10.073 11.732 1.00 72.01 O ATOM 97 CB ILE A 8 -9.346 -12.566 9.338 1.00 20.25 C ATOM 98 CG1 ILE A 8 -8.027 -13.292 9.062 1.00 55.51 C ATOM 99 CG2 ILE A 8 -10.313 -12.754 8.179 1.00 12.42 C ATOM 100 CD1 ILE A 8 -7.505 -13.081 7.658 1.00 2.21 C ATOM 0 H ILE A 8 -7.024 -11.076 9.938 1.00 10.25 H new ATOM 0 HA ILE A 8 -9.726 -10.484 8.920 1.00 43.22 H new ATOM 0 HB ILE A 8 -9.795 -12.996 10.233 1.00 20.25 H new ATOM 0 HG12 ILE A 8 -7.277 -12.950 9.775 1.00 55.51 H new ATOM 0 HG13 ILE A 8 -8.166 -14.359 9.233 1.00 55.51 H new ATOM 0 HG21 ILE A 8 -10.483 -13.818 8.016 1.00 12.42 H new ATOM 0 HG22 ILE A 8 -11.260 -12.267 8.412 1.00 12.42 H new ATOM 0 HG23 ILE A 8 -9.890 -12.312 7.277 1.00 12.42 H new ATOM 0 HD11 ILE A 8 -6.568 -13.624 7.533 1.00 2.21 H new ATOM 0 HD12 ILE A 8 -8.237 -13.449 6.939 1.00 2.21 H new ATOM 0 HD13 ILE A 8 -7.334 -12.018 7.490 1.00 2.21 H new ATOM 112 N ALA A 9 -10.602 -11.206 11.478 1.00 60.30 N ATOM 113 CA ALA A 9 -11.052 -10.964 12.843 1.00 0.10 C ATOM 114 C ALA A 9 -9.914 -11.161 13.839 1.00 13.42 C ATOM 115 O ALA A 9 -9.658 -10.300 14.681 1.00 43.51 O ATOM 116 CB ALA A 9 -12.219 -11.879 13.184 1.00 0.43 C ATOM 0 H ALA A 9 -11.248 -11.756 10.912 1.00 60.30 H new ATOM 0 HA ALA A 9 -11.385 -9.928 12.912 1.00 0.10 H new ATOM 0 HB1 ALA A 9 -12.545 -11.687 14.206 1.00 0.43 H new ATOM 0 HB2 ALA A 9 -13.044 -11.687 12.498 1.00 0.43 H new ATOM 0 HB3 ALA A 9 -11.905 -12.919 13.092 1.00 0.43 H new ATOM 122 N ASP A 10 -9.236 -12.298 13.738 1.00 32.45 N ATOM 123 CA ASP A 10 -8.125 -12.608 14.631 1.00 51.11 C ATOM 124 C ASP A 10 -7.151 -13.579 13.970 1.00 54.41 C ATOM 125 O ASP A 10 -6.890 -14.662 14.491 1.00 31.15 O ATOM 126 CB ASP A 10 -8.645 -13.201 15.941 1.00 34.11 C ATOM 127 CG ASP A 10 -9.724 -12.346 16.576 1.00 54.23 C ATOM 128 OD1 ASP A 10 -9.376 -11.412 17.328 1.00 3.12 O ATOM 129 OD2 ASP A 10 -10.917 -12.610 16.319 1.00 15.21 O ATOM 0 H ASP A 10 -9.436 -13.021 13.047 1.00 32.45 H new ATOM 0 HA ASP A 10 -7.595 -11.680 14.847 1.00 51.11 H new ATOM 0 HB2 ASP A 10 -9.040 -14.199 15.753 1.00 34.11 H new ATOM 0 HB3 ASP A 10 -7.816 -13.313 16.640 1.00 34.11 H new ATOM 134 N MET A 11 -6.619 -13.182 12.819 1.00 63.34 N ATOM 135 CA MET A 11 -5.674 -14.018 12.087 1.00 42.45 C ATOM 136 C MET A 11 -4.981 -13.219 10.987 1.00 72.34 C ATOM 137 O MET A 11 -5.367 -12.088 10.689 1.00 60.33 O ATOM 138 CB MET A 11 -6.391 -15.226 11.481 1.00 2.04 C ATOM 139 CG MET A 11 -5.509 -16.458 11.361 1.00 60.24 C ATOM 140 SD MET A 11 -6.453 -17.958 11.029 1.00 70.12 S ATOM 141 CE MET A 11 -7.368 -17.466 9.570 1.00 61.44 C ATOM 0 H MET A 11 -6.826 -12.288 12.373 1.00 63.34 H new ATOM 0 HA MET A 11 -4.918 -14.369 12.789 1.00 42.45 H new ATOM 0 HB2 MET A 11 -7.259 -15.469 12.094 1.00 2.04 H new ATOM 0 HB3 MET A 11 -6.764 -14.959 10.492 1.00 2.04 H new ATOM 0 HG2 MET A 11 -4.784 -16.305 10.561 1.00 60.24 H new ATOM 0 HG3 MET A 11 -4.943 -16.586 12.284 1.00 60.24 H new ATOM 0 HE1 MET A 11 -7.575 -18.343 8.957 1.00 61.44 H new ATOM 0 HE2 MET A 11 -8.308 -17.002 9.869 1.00 61.44 H new ATOM 0 HE3 MET A 11 -6.778 -16.753 8.994 1.00 61.44 H new ATOM 151 N THR A 12 -3.956 -13.815 10.386 1.00 44.45 N ATOM 152 CA THR A 12 -3.209 -13.159 9.320 1.00 45.51 C ATOM 153 C THR A 12 -2.983 -14.103 8.145 1.00 41.23 C ATOM 154 O THR A 12 -2.133 -14.992 8.204 1.00 51.43 O ATOM 155 CB THR A 12 -1.845 -12.647 9.822 1.00 30.42 C ATOM 156 OG1 THR A 12 -2.037 -11.684 10.864 1.00 25.23 O ATOM 157 CG2 THR A 12 -1.050 -12.022 8.686 1.00 2.32 C ATOM 0 H THR A 12 -3.624 -14.751 10.619 1.00 44.45 H new ATOM 0 HA THR A 12 -3.809 -12.310 8.991 1.00 45.51 H new ATOM 0 HB THR A 12 -1.284 -13.496 10.212 1.00 30.42 H new ATOM 0 HG1 THR A 12 -1.166 -11.365 11.179 1.00 25.23 H new ATOM 0 HG21 THR A 12 -0.091 -11.668 9.065 1.00 2.32 H new ATOM 0 HG22 THR A 12 -0.880 -12.766 7.908 1.00 2.32 H new ATOM 0 HG23 THR A 12 -1.608 -11.183 8.270 1.00 2.32 H new ATOM 165 N VAL A 13 -3.749 -13.905 7.077 1.00 40.54 N ATOM 166 CA VAL A 13 -3.631 -14.738 5.886 1.00 52.30 C ATOM 167 C VAL A 13 -2.600 -14.170 4.918 1.00 44.13 C ATOM 168 O VAL A 13 -2.522 -12.958 4.717 1.00 14.43 O ATOM 169 CB VAL A 13 -4.982 -14.872 5.159 1.00 53.12 C ATOM 170 CG1 VAL A 13 -4.815 -15.643 3.858 1.00 22.15 C ATOM 171 CG2 VAL A 13 -6.007 -15.545 6.059 1.00 20.14 C ATOM 0 H VAL A 13 -4.458 -13.175 7.012 1.00 40.54 H new ATOM 0 HA VAL A 13 -3.307 -15.724 6.220 1.00 52.30 H new ATOM 0 HB VAL A 13 -5.345 -13.873 4.917 1.00 53.12 H new ATOM 0 HG11 VAL A 13 -5.780 -15.727 3.359 1.00 22.15 H new ATOM 0 HG12 VAL A 13 -4.116 -15.115 3.209 1.00 22.15 H new ATOM 0 HG13 VAL A 13 -4.429 -16.640 4.073 1.00 22.15 H new ATOM 0 HG21 VAL A 13 -6.956 -15.631 5.529 1.00 20.14 H new ATOM 0 HG22 VAL A 13 -5.653 -16.539 6.334 1.00 20.14 H new ATOM 0 HG23 VAL A 13 -6.148 -14.948 6.960 1.00 20.14 H new ATOM 181 N ASP A 14 -1.809 -15.054 4.319 1.00 2.32 N ATOM 182 CA ASP A 14 -0.782 -14.641 3.370 1.00 62.13 C ATOM 183 C ASP A 14 -1.148 -15.071 1.953 1.00 64.35 C ATOM 184 O ASP A 14 -1.327 -16.258 1.680 1.00 4.05 O ATOM 185 CB ASP A 14 0.573 -15.233 3.762 1.00 50.21 C ATOM 186 CG ASP A 14 1.649 -14.174 3.902 1.00 53.24 C ATOM 187 OD1 ASP A 14 1.658 -13.227 3.088 1.00 71.15 O ATOM 188 OD2 ASP A 14 2.482 -14.292 4.824 1.00 21.15 O ATOM 0 H ASP A 14 -1.860 -16.061 4.474 1.00 2.32 H new ATOM 0 HA ASP A 14 -0.715 -13.553 3.395 1.00 62.13 H new ATOM 0 HB2 ASP A 14 0.472 -15.771 4.705 1.00 50.21 H new ATOM 0 HB3 ASP A 14 0.879 -15.961 3.011 1.00 50.21 H new ATOM 193 N MET A 15 -1.258 -14.098 1.054 1.00 21.11 N ATOM 194 CA MET A 15 -1.602 -14.377 -0.335 1.00 54.32 C ATOM 195 C MET A 15 -0.365 -14.776 -1.133 1.00 1.23 C ATOM 196 O MET A 15 -0.470 -15.253 -2.263 1.00 4.22 O ATOM 197 CB MET A 15 -2.263 -13.154 -0.974 1.00 41.34 C ATOM 198 CG MET A 15 -1.290 -12.025 -1.274 1.00 11.44 C ATOM 199 SD MET A 15 -2.079 -10.629 -2.099 1.00 44.11 S ATOM 200 CE MET A 15 -3.034 -9.935 -0.752 1.00 50.25 C ATOM 0 H MET A 15 -1.114 -13.110 1.263 1.00 21.11 H new ATOM 0 HA MET A 15 -2.305 -15.210 -0.349 1.00 54.32 H new ATOM 0 HB2 MET A 15 -2.751 -13.457 -1.900 1.00 41.34 H new ATOM 0 HB3 MET A 15 -3.043 -12.783 -0.309 1.00 41.34 H new ATOM 0 HG2 MET A 15 -0.838 -11.683 -0.343 1.00 11.44 H new ATOM 0 HG3 MET A 15 -0.482 -12.403 -1.901 1.00 11.44 H new ATOM 0 HE1 MET A 15 -4.095 -9.979 -0.998 1.00 50.25 H new ATOM 0 HE2 MET A 15 -2.848 -10.506 0.158 1.00 50.25 H new ATOM 0 HE3 MET A 15 -2.741 -8.897 -0.595 1.00 50.25 H new ATOM 210 N VAL A 16 0.807 -14.577 -0.537 1.00 71.33 N ATOM 211 CA VAL A 16 2.064 -14.917 -1.192 1.00 65.31 C ATOM 212 C VAL A 16 2.682 -16.169 -0.579 1.00 63.02 C ATOM 213 O VAL A 16 3.385 -16.921 -1.255 1.00 31.35 O ATOM 214 CB VAL A 16 3.077 -13.760 -1.099 1.00 34.12 C ATOM 215 CG1 VAL A 16 2.669 -12.619 -2.018 1.00 44.22 C ATOM 216 CG2 VAL A 16 3.203 -13.278 0.339 1.00 65.44 C ATOM 0 H VAL A 16 0.911 -14.182 0.398 1.00 71.33 H new ATOM 0 HA VAL A 16 1.833 -15.105 -2.241 1.00 65.31 H new ATOM 0 HB VAL A 16 4.052 -14.125 -1.423 1.00 34.12 H new ATOM 0 HG11 VAL A 16 3.396 -11.811 -1.939 1.00 44.22 H new ATOM 0 HG12 VAL A 16 2.633 -12.976 -3.047 1.00 44.22 H new ATOM 0 HG13 VAL A 16 1.685 -12.252 -1.727 1.00 44.22 H new ATOM 0 HG21 VAL A 16 3.922 -12.461 0.387 1.00 65.44 H new ATOM 0 HG22 VAL A 16 2.233 -12.929 0.692 1.00 65.44 H new ATOM 0 HG23 VAL A 16 3.544 -14.099 0.969 1.00 65.44 H new ATOM 226 N ARG A 17 2.415 -16.386 0.704 1.00 23.35 N ATOM 227 CA ARG A 17 2.946 -17.547 1.409 1.00 33.13 C ATOM 228 C ARG A 17 1.864 -18.605 1.606 1.00 72.03 C ATOM 229 O ARG A 17 2.161 -19.767 1.885 1.00 0.54 O ATOM 230 CB ARG A 17 3.518 -17.129 2.765 1.00 32.53 C ATOM 231 CG ARG A 17 4.811 -16.337 2.663 1.00 53.01 C ATOM 232 CD ARG A 17 6.011 -17.251 2.475 1.00 22.43 C ATOM 233 NE ARG A 17 7.270 -16.567 2.759 1.00 31.31 N ATOM 234 CZ ARG A 17 8.463 -17.068 2.457 1.00 53.10 C ATOM 235 NH1 ARG A 17 8.559 -18.250 1.865 1.00 75.14 N ATOM 236 NH2 ARG A 17 9.563 -16.385 2.747 1.00 31.11 N ATOM 0 H ARG A 17 1.834 -15.774 1.277 1.00 23.35 H new ATOM 0 HA ARG A 17 3.744 -17.976 0.802 1.00 33.13 H new ATOM 0 HB2 ARG A 17 2.776 -16.531 3.294 1.00 32.53 H new ATOM 0 HB3 ARG A 17 3.695 -18.021 3.366 1.00 32.53 H new ATOM 0 HG2 ARG A 17 4.748 -15.641 1.826 1.00 53.01 H new ATOM 0 HG3 ARG A 17 4.945 -15.740 3.565 1.00 53.01 H new ATOM 0 HD2 ARG A 17 5.913 -18.117 3.130 1.00 22.43 H new ATOM 0 HD3 ARG A 17 6.025 -17.625 1.451 1.00 22.43 H new ATOM 0 HE ARG A 17 7.231 -15.655 3.214 1.00 31.31 H new ATOM 0 HH11 ARG A 17 7.716 -18.778 1.640 1.00 75.14 H new ATOM 0 HH12 ARG A 17 9.476 -18.632 1.634 1.00 75.14 H new ATOM 0 HH21 ARG A 17 9.493 -15.475 3.202 1.00 31.11 H new ATOM 0 HH22 ARG A 17 10.479 -16.770 2.515 1.00 31.11 H new ATOM 250 N ARG A 18 0.608 -18.195 1.458 1.00 44.32 N ATOM 251 CA ARG A 18 -0.518 -19.106 1.621 1.00 65.45 C ATOM 252 C ARG A 18 -0.502 -19.747 3.005 1.00 33.52 C ATOM 253 O ARG A 18 -0.487 -20.972 3.135 1.00 62.12 O ATOM 254 CB ARG A 18 -0.482 -20.192 0.544 1.00 62.44 C ATOM 255 CG ARG A 18 -0.810 -19.680 -0.849 1.00 43.12 C ATOM 256 CD ARG A 18 0.434 -19.176 -1.564 1.00 51.44 C ATOM 257 NE ARG A 18 0.345 -19.358 -3.011 1.00 4.13 N ATOM 258 CZ ARG A 18 1.393 -19.297 -3.825 1.00 25.34 C ATOM 259 NH1 ARG A 18 2.603 -19.061 -3.336 1.00 43.14 N ATOM 260 NH2 ARG A 18 1.233 -19.474 -5.130 1.00 15.02 N ATOM 0 H ARG A 18 0.345 -17.237 1.225 1.00 44.32 H new ATOM 0 HA ARG A 18 -1.438 -18.530 1.517 1.00 65.45 H new ATOM 0 HB2 ARG A 18 0.509 -20.646 0.531 1.00 62.44 H new ATOM 0 HB3 ARG A 18 -1.189 -20.978 0.809 1.00 62.44 H new ATOM 0 HG2 ARG A 18 -1.268 -20.478 -1.433 1.00 43.12 H new ATOM 0 HG3 ARG A 18 -1.542 -18.875 -0.779 1.00 43.12 H new ATOM 0 HD2 ARG A 18 0.578 -18.119 -1.340 1.00 51.44 H new ATOM 0 HD3 ARG A 18 1.309 -19.704 -1.185 1.00 51.44 H new ATOM 0 HE ARG A 18 -0.572 -19.542 -3.418 1.00 4.13 H new ATOM 0 HH11 ARG A 18 2.730 -18.926 -2.333 1.00 43.14 H new ATOM 0 HH12 ARG A 18 3.406 -19.015 -3.963 1.00 43.14 H new ATOM 0 HH21 ARG A 18 0.304 -19.657 -5.510 1.00 15.02 H new ATOM 0 HH22 ARG A 18 2.039 -19.427 -5.754 1.00 15.02 H new ATOM 274 N THR A 19 -0.506 -18.911 4.039 1.00 71.51 N ATOM 275 CA THR A 19 -0.491 -19.396 5.413 1.00 1.45 C ATOM 276 C THR A 19 -1.533 -18.675 6.262 1.00 63.13 C ATOM 277 O THR A 19 -2.183 -17.737 5.800 1.00 32.41 O ATOM 278 CB THR A 19 0.896 -19.212 6.058 1.00 32.14 C ATOM 279 OG1 THR A 19 1.109 -17.833 6.377 1.00 2.51 O ATOM 280 CG2 THR A 19 1.995 -19.698 5.126 1.00 71.41 C ATOM 0 H THR A 19 -0.520 -17.895 3.950 1.00 71.51 H new ATOM 0 HA THR A 19 -0.729 -20.459 5.376 1.00 1.45 H new ATOM 0 HB THR A 19 0.929 -19.805 6.972 1.00 32.14 H new ATOM 0 HG1 THR A 19 1.992 -17.725 6.788 1.00 2.51 H new ATOM 0 HG21 THR A 19 2.965 -19.558 5.603 1.00 71.41 H new ATOM 0 HG22 THR A 19 1.847 -20.756 4.909 1.00 71.41 H new ATOM 0 HG23 THR A 19 1.962 -19.129 4.197 1.00 71.41 H new ATOM 288 N VAL A 20 -1.686 -19.119 7.505 1.00 0.44 N ATOM 289 CA VAL A 20 -2.648 -18.514 8.419 1.00 30.43 C ATOM 290 C VAL A 20 -2.086 -18.434 9.834 1.00 11.03 C ATOM 291 O VAL A 20 -1.893 -19.455 10.495 1.00 2.11 O ATOM 292 CB VAL A 20 -3.969 -19.306 8.448 1.00 60.04 C ATOM 293 CG1 VAL A 20 -4.829 -18.953 7.244 1.00 51.22 C ATOM 294 CG2 VAL A 20 -3.693 -20.801 8.496 1.00 63.25 C ATOM 0 H VAL A 20 -1.157 -19.895 7.902 1.00 0.44 H new ATOM 0 HA VAL A 20 -2.844 -17.507 8.051 1.00 30.43 H new ATOM 0 HB VAL A 20 -4.517 -19.032 9.349 1.00 60.04 H new ATOM 0 HG11 VAL A 20 -5.758 -19.522 7.281 1.00 51.22 H new ATOM 0 HG12 VAL A 20 -5.055 -17.887 7.259 1.00 51.22 H new ATOM 0 HG13 VAL A 20 -4.291 -19.197 6.328 1.00 51.22 H new ATOM 0 HG21 VAL A 20 -4.637 -21.345 8.516 1.00 63.25 H new ATOM 0 HG22 VAL A 20 -3.124 -21.094 7.614 1.00 63.25 H new ATOM 0 HG23 VAL A 20 -3.120 -21.037 9.393 1.00 63.25 H new ATOM 304 N ILE A 21 -1.826 -17.214 10.293 1.00 35.43 N ATOM 305 CA ILE A 21 -1.288 -17.001 11.631 1.00 52.31 C ATOM 306 C ILE A 21 -2.365 -16.487 12.581 1.00 23.31 C ATOM 307 O ILE A 21 -2.978 -15.448 12.337 1.00 31.10 O ATOM 308 CB ILE A 21 -0.116 -16.002 11.613 1.00 11.11 C ATOM 309 CG1 ILE A 21 1.107 -16.629 10.942 1.00 62.52 C ATOM 310 CG2 ILE A 21 0.220 -15.555 13.028 1.00 44.11 C ATOM 311 CD1 ILE A 21 1.033 -16.631 9.431 1.00 42.31 C ATOM 0 H ILE A 21 -1.979 -16.359 9.758 1.00 35.43 H new ATOM 0 HA ILE A 21 -0.927 -17.967 11.984 1.00 52.31 H new ATOM 0 HB ILE A 21 -0.413 -15.126 11.037 1.00 11.11 H new ATOM 0 HG12 ILE A 21 2.000 -16.087 11.253 1.00 62.52 H new ATOM 0 HG13 ILE A 21 1.218 -17.655 11.294 1.00 62.52 H new ATOM 0 HG21 ILE A 21 1.050 -14.849 12.999 1.00 44.11 H new ATOM 0 HG22 ILE A 21 -0.650 -15.073 13.474 1.00 44.11 H new ATOM 0 HG23 ILE A 21 0.501 -16.422 13.626 1.00 44.11 H new ATOM 0 HD11 ILE A 21 1.933 -17.090 9.023 1.00 42.31 H new ATOM 0 HD12 ILE A 21 0.159 -17.198 9.110 1.00 42.31 H new ATOM 0 HD13 ILE A 21 0.953 -15.606 9.069 1.00 42.31 H new ATOM 323 N ARG A 22 -2.588 -17.222 13.666 1.00 3.41 N ATOM 324 CA ARG A 22 -3.590 -16.840 14.654 1.00 23.21 C ATOM 325 C ARG A 22 -2.945 -16.110 15.828 1.00 1.24 C ATOM 326 O ARG A 22 -2.294 -16.725 16.673 1.00 41.31 O ATOM 327 CB ARG A 22 -4.337 -18.077 15.157 1.00 53.40 C ATOM 328 CG ARG A 22 -5.050 -17.860 16.482 1.00 24.42 C ATOM 329 CD ARG A 22 -5.818 -19.101 16.911 1.00 42.15 C ATOM 330 NE ARG A 22 -6.392 -18.955 18.246 1.00 62.45 N ATOM 331 CZ ARG A 22 -5.668 -18.939 19.359 1.00 4.20 C ATOM 332 NH1 ARG A 22 -4.348 -19.058 19.298 1.00 55.53 N ATOM 333 NH2 ARG A 22 -6.263 -18.803 20.537 1.00 1.41 N ATOM 0 H ARG A 22 -2.089 -18.085 13.883 1.00 3.41 H new ATOM 0 HA ARG A 22 -4.299 -16.165 14.174 1.00 23.21 H new ATOM 0 HB2 ARG A 22 -5.067 -18.381 14.407 1.00 53.40 H new ATOM 0 HB3 ARG A 22 -3.630 -18.899 15.265 1.00 53.40 H new ATOM 0 HG2 ARG A 22 -4.322 -17.598 17.250 1.00 24.42 H new ATOM 0 HG3 ARG A 22 -5.737 -17.018 16.393 1.00 24.42 H new ATOM 0 HD2 ARG A 22 -6.614 -19.300 16.194 1.00 42.15 H new ATOM 0 HD3 ARG A 22 -5.151 -19.963 16.895 1.00 42.15 H new ATOM 0 HE ARG A 22 -7.404 -18.860 18.328 1.00 62.45 H new ATOM 0 HH11 ARG A 22 -3.887 -19.162 18.394 1.00 55.53 H new ATOM 0 HH12 ARG A 22 -3.795 -19.045 20.155 1.00 55.53 H new ATOM 0 HH21 ARG A 22 -7.278 -18.711 20.588 1.00 1.41 H new ATOM 0 HH22 ARG A 22 -5.706 -18.791 21.391 1.00 1.41 H new ATOM 347 N SER A 23 -3.130 -14.794 15.874 1.00 34.44 N ATOM 348 CA SER A 23 -2.563 -13.979 16.942 1.00 34.44 C ATOM 349 C SER A 23 -1.072 -14.256 17.103 1.00 44.41 C ATOM 350 O SER A 23 -0.525 -14.154 18.200 1.00 24.42 O ATOM 351 CB SER A 23 -3.289 -14.253 18.261 1.00 11.52 C ATOM 352 OG SER A 23 -3.315 -13.095 19.078 1.00 13.11 O ATOM 0 H SER A 23 -3.668 -14.270 15.184 1.00 34.44 H new ATOM 0 HA SER A 23 -2.693 -12.931 16.674 1.00 34.44 H new ATOM 0 HB2 SER A 23 -4.308 -14.581 18.058 1.00 11.52 H new ATOM 0 HB3 SER A 23 -2.792 -15.065 18.791 1.00 11.52 H new ATOM 0 HG SER A 23 -3.785 -13.295 19.914 1.00 13.11 H new ATOM 358 N GLY A 24 -0.419 -14.606 15.999 1.00 44.23 N ATOM 359 CA GLY A 24 1.004 -14.892 16.037 1.00 14.31 C ATOM 360 C GLY A 24 1.293 -16.371 16.199 1.00 4.33 C ATOM 361 O GLY A 24 2.415 -16.759 16.528 1.00 74.44 O ATOM 0 H GLY A 24 -0.850 -14.697 15.079 1.00 44.23 H new ATOM 0 HA2 GLY A 24 1.469 -14.532 15.119 1.00 14.31 H new ATOM 0 HA3 GLY A 24 1.460 -14.343 16.861 1.00 14.31 H new ATOM 365 N LYS A 25 0.280 -17.199 15.970 1.00 21.14 N ATOM 366 CA LYS A 25 0.430 -18.644 16.093 1.00 31.30 C ATOM 367 C LYS A 25 -0.241 -19.362 14.926 1.00 10.21 C ATOM 368 O LYS A 25 -1.467 -19.458 14.865 1.00 21.52 O ATOM 369 CB LYS A 25 -0.168 -19.129 17.416 1.00 71.34 C ATOM 370 CG LYS A 25 0.426 -18.449 18.637 1.00 34.41 C ATOM 371 CD LYS A 25 -0.418 -17.267 19.083 1.00 74.13 C ATOM 372 CE LYS A 25 0.192 -16.570 20.289 1.00 14.11 C ATOM 373 NZ LYS A 25 0.409 -17.511 21.422 1.00 31.24 N ATOM 0 H LYS A 25 -0.655 -16.894 15.698 1.00 21.14 H new ATOM 0 HA LYS A 25 1.495 -18.876 16.076 1.00 31.30 H new ATOM 0 HB2 LYS A 25 -1.244 -18.958 17.403 1.00 71.34 H new ATOM 0 HB3 LYS A 25 -0.017 -20.205 17.500 1.00 71.34 H new ATOM 0 HG2 LYS A 25 0.506 -19.168 19.452 1.00 34.41 H new ATOM 0 HG3 LYS A 25 1.437 -18.110 18.410 1.00 34.41 H new ATOM 0 HD2 LYS A 25 -0.515 -16.557 18.262 1.00 74.13 H new ATOM 0 HD3 LYS A 25 -1.423 -17.609 19.329 1.00 74.13 H new ATOM 0 HE2 LYS A 25 1.142 -16.118 20.005 1.00 14.11 H new ATOM 0 HE3 LYS A 25 -0.463 -15.760 20.610 1.00 14.11 H new ATOM 0 HZ1 LYS A 25 0.615 -16.971 22.287 1.00 31.24 H new ATOM 0 HZ2 LYS A 25 -0.447 -18.084 21.566 1.00 31.24 H new ATOM 0 HZ3 LYS A 25 1.211 -18.136 21.205 1.00 31.24 H new ATOM 387 N LYS A 26 0.570 -19.865 14.002 1.00 60.02 N ATOM 388 CA LYS A 26 0.056 -20.577 12.838 1.00 50.34 C ATOM 389 C LYS A 26 -0.863 -21.718 13.260 1.00 74.21 C ATOM 390 O LYS A 26 -0.531 -22.496 14.155 1.00 73.12 O ATOM 391 CB LYS A 26 1.212 -21.123 11.997 1.00 70.13 C ATOM 392 CG LYS A 26 0.759 -21.901 10.773 1.00 45.41 C ATOM 393 CD LYS A 26 1.049 -21.139 9.490 1.00 22.51 C ATOM 394 CE LYS A 26 2.529 -21.177 9.142 1.00 63.21 C ATOM 395 NZ LYS A 26 2.948 -22.517 8.645 1.00 42.13 N ATOM 0 H LYS A 26 1.587 -19.793 14.037 1.00 60.02 H new ATOM 0 HA LYS A 26 -0.521 -19.873 12.238 1.00 50.34 H new ATOM 0 HB2 LYS A 26 1.841 -20.293 11.677 1.00 70.13 H new ATOM 0 HB3 LYS A 26 1.830 -21.770 12.620 1.00 70.13 H new ATOM 0 HG2 LYS A 26 1.265 -22.866 10.746 1.00 45.41 H new ATOM 0 HG3 LYS A 26 -0.310 -22.103 10.844 1.00 45.41 H new ATOM 0 HD2 LYS A 26 0.471 -21.568 8.672 1.00 22.51 H new ATOM 0 HD3 LYS A 26 0.726 -20.104 9.600 1.00 22.51 H new ATOM 0 HE2 LYS A 26 2.743 -20.425 8.383 1.00 63.21 H new ATOM 0 HE3 LYS A 26 3.116 -20.917 10.023 1.00 63.21 H new ATOM 0 HZ1 LYS A 26 3.906 -22.455 8.246 1.00 42.13 H new ATOM 0 HZ2 LYS A 26 2.944 -23.196 9.433 1.00 42.13 H new ATOM 0 HZ3 LYS A 26 2.286 -22.837 7.909 1.00 42.13 H new ATOM 409 N ILE A 27 -2.018 -21.813 12.610 1.00 73.12 N ATOM 410 CA ILE A 27 -2.983 -22.861 12.917 1.00 73.41 C ATOM 411 C ILE A 27 -2.487 -24.222 12.440 1.00 73.13 C ATOM 412 O ILE A 27 -1.870 -24.333 11.380 1.00 74.43 O ATOM 413 CB ILE A 27 -4.352 -22.572 12.274 1.00 75.22 C ATOM 414 CG1 ILE A 27 -4.940 -21.276 12.835 1.00 51.54 C ATOM 415 CG2 ILE A 27 -5.304 -23.736 12.508 1.00 50.02 C ATOM 416 CD1 ILE A 27 -5.302 -21.361 14.301 1.00 42.41 C ATOM 0 H ILE A 27 -2.308 -21.177 11.867 1.00 73.12 H new ATOM 0 HA ILE A 27 -3.096 -22.878 14.001 1.00 73.41 H new ATOM 0 HB ILE A 27 -4.214 -22.451 11.200 1.00 75.22 H new ATOM 0 HG12 ILE A 27 -4.221 -20.469 12.693 1.00 51.54 H new ATOM 0 HG13 ILE A 27 -5.831 -21.014 12.264 1.00 51.54 H new ATOM 0 HG21 ILE A 27 -6.267 -23.516 12.048 1.00 50.02 H new ATOM 0 HG22 ILE A 27 -4.888 -24.641 12.065 1.00 50.02 H new ATOM 0 HG23 ILE A 27 -5.440 -23.885 13.579 1.00 50.02 H new ATOM 0 HD11 ILE A 27 -5.713 -20.407 14.630 1.00 42.41 H new ATOM 0 HD12 ILE A 27 -6.044 -22.145 14.448 1.00 42.41 H new ATOM 0 HD13 ILE A 27 -4.410 -21.592 14.883 1.00 42.41 H new ATOM 428 N HIS A 28 -2.762 -25.256 13.228 1.00 35.25 N ATOM 429 CA HIS A 28 -2.346 -26.611 12.885 1.00 33.44 C ATOM 430 C HIS A 28 -3.380 -27.287 11.989 1.00 10.32 C ATOM 431 O HIS A 28 -4.545 -27.427 12.364 1.00 51.52 O ATOM 432 CB HIS A 28 -2.135 -27.439 14.154 1.00 72.15 C ATOM 433 CG HIS A 28 -1.054 -26.907 15.043 1.00 13.22 C ATOM 434 ND1 HIS A 28 0.235 -26.683 14.609 1.00 2.43 N ATOM 435 CD2 HIS A 28 -1.077 -26.552 16.349 1.00 32.13 C ATOM 436 CE1 HIS A 28 0.959 -26.215 15.610 1.00 2.34 C ATOM 437 NE2 HIS A 28 0.186 -26.126 16.678 1.00 41.33 N ATOM 0 H HIS A 28 -3.271 -25.182 14.109 1.00 35.25 H new ATOM 0 HA HIS A 28 -1.404 -26.548 12.340 1.00 33.44 H new ATOM 0 HB2 HIS A 28 -3.070 -27.475 14.714 1.00 72.15 H new ATOM 0 HB3 HIS A 28 -1.892 -28.464 13.873 1.00 72.15 H new ATOM 0 HD2 HIS A 28 -1.930 -26.596 17.010 1.00 32.13 H new ATOM 0 HE1 HIS A 28 2.005 -25.950 15.563 1.00 2.34 H new ATOM 0 HE2 HIS A 28 0.480 -25.795 17.597 1.00 41.33 H new ATOM 445 N LEU A 29 -2.947 -27.703 10.804 1.00 2.14 N ATOM 446 CA LEU A 29 -3.835 -28.363 9.854 1.00 62.12 C ATOM 447 C LEU A 29 -3.133 -29.537 9.178 1.00 33.02 C ATOM 448 O LEU A 29 -1.943 -29.771 9.393 1.00 54.02 O ATOM 449 CB LEU A 29 -4.316 -27.366 8.798 1.00 35.14 C ATOM 450 CG LEU A 29 -5.047 -26.131 9.326 1.00 1.30 C ATOM 451 CD1 LEU A 29 -5.495 -25.244 8.175 1.00 13.40 C ATOM 452 CD2 LEU A 29 -6.237 -26.540 10.182 1.00 40.44 C ATOM 0 H LEU A 29 -1.986 -27.595 10.478 1.00 2.14 H new ATOM 0 HA LEU A 29 -4.695 -28.745 10.403 1.00 62.12 H new ATOM 0 HB2 LEU A 29 -3.453 -27.034 8.221 1.00 35.14 H new ATOM 0 HB3 LEU A 29 -4.979 -27.889 8.108 1.00 35.14 H new ATOM 0 HG LEU A 29 -4.357 -25.562 9.949 1.00 1.30 H new ATOM 0 HD11 LEU A 29 -6.013 -24.370 8.570 1.00 13.40 H new ATOM 0 HD12 LEU A 29 -4.624 -24.922 7.603 1.00 13.40 H new ATOM 0 HD13 LEU A 29 -6.169 -25.803 7.526 1.00 13.40 H new ATOM 0 HD21 LEU A 29 -6.745 -25.648 10.549 1.00 40.44 H new ATOM 0 HD22 LEU A 29 -6.930 -27.132 9.583 1.00 40.44 H new ATOM 0 HD23 LEU A 29 -5.890 -27.134 11.028 1.00 40.44 H new ATOM 464 N THR A 30 -3.878 -30.273 8.358 1.00 1.43 N ATOM 465 CA THR A 30 -3.328 -31.421 7.650 1.00 22.40 C ATOM 466 C THR A 30 -3.211 -31.142 6.156 1.00 12.10 C ATOM 467 O THR A 30 -3.464 -30.027 5.702 1.00 43.14 O ATOM 468 CB THR A 30 -4.194 -32.678 7.860 1.00 42.14 C ATOM 469 OG1 THR A 30 -3.478 -33.843 7.433 1.00 13.31 O ATOM 470 CG2 THR A 30 -5.501 -32.569 7.089 1.00 21.01 C ATOM 0 H THR A 30 -4.864 -30.093 8.169 1.00 1.43 H new ATOM 0 HA THR A 30 -2.335 -31.600 8.062 1.00 22.40 H new ATOM 0 HB THR A 30 -4.423 -32.762 8.922 1.00 42.14 H new ATOM 0 HG1 THR A 30 -3.908 -34.217 6.636 1.00 13.31 H new ATOM 0 HG21 THR A 30 -6.096 -33.468 7.252 1.00 21.01 H new ATOM 0 HG22 THR A 30 -6.057 -31.698 7.436 1.00 21.01 H new ATOM 0 HG23 THR A 30 -5.288 -32.463 6.025 1.00 21.01 H new ATOM 478 N GLY A 31 -2.827 -32.163 5.396 1.00 52.03 N ATOM 479 CA GLY A 31 -2.685 -32.006 3.960 1.00 24.20 C ATOM 480 C GLY A 31 -3.984 -31.608 3.288 1.00 3.13 C ATOM 481 O GLY A 31 -4.035 -30.621 2.554 1.00 61.35 O ATOM 0 H GLY A 31 -2.612 -33.096 5.749 1.00 52.03 H new ATOM 0 HA2 GLY A 31 -1.927 -31.251 3.754 1.00 24.20 H new ATOM 0 HA3 GLY A 31 -2.329 -32.942 3.529 1.00 24.20 H new ATOM 485 N LYS A 32 -5.038 -32.377 3.539 1.00 65.53 N ATOM 486 CA LYS A 32 -6.344 -32.101 2.953 1.00 41.00 C ATOM 487 C LYS A 32 -6.832 -30.710 3.344 1.00 10.21 C ATOM 488 O LYS A 32 -7.189 -29.904 2.485 1.00 11.05 O ATOM 489 CB LYS A 32 -7.360 -33.154 3.401 1.00 22.21 C ATOM 490 CG LYS A 32 -6.863 -34.582 3.249 1.00 13.51 C ATOM 491 CD LYS A 32 -7.994 -35.585 3.406 1.00 43.23 C ATOM 492 CE LYS A 32 -7.606 -36.951 2.861 1.00 51.25 C ATOM 493 NZ LYS A 32 -7.557 -36.961 1.372 1.00 15.42 N ATOM 0 H LYS A 32 -5.013 -33.197 4.145 1.00 65.53 H new ATOM 0 HA LYS A 32 -6.244 -32.141 1.868 1.00 41.00 H new ATOM 0 HB2 LYS A 32 -7.618 -32.977 4.445 1.00 22.21 H new ATOM 0 HB3 LYS A 32 -8.275 -33.033 2.822 1.00 22.21 H new ATOM 0 HG2 LYS A 32 -6.400 -34.705 2.270 1.00 13.51 H new ATOM 0 HG3 LYS A 32 -6.092 -34.781 3.994 1.00 13.51 H new ATOM 0 HD2 LYS A 32 -8.259 -35.674 4.459 1.00 43.23 H new ATOM 0 HD3 LYS A 32 -8.879 -35.222 2.884 1.00 43.23 H new ATOM 0 HE2 LYS A 32 -6.632 -37.237 3.258 1.00 51.25 H new ATOM 0 HE3 LYS A 32 -8.323 -37.696 3.206 1.00 51.25 H new ATOM 0 HZ1 LYS A 32 -7.543 -37.944 1.032 1.00 15.42 H new ATOM 0 HZ2 LYS A 32 -8.396 -36.476 0.994 1.00 15.42 H new ATOM 0 HZ3 LYS A 32 -6.698 -36.470 1.050 1.00 15.42 H new ATOM 507 N GLU A 33 -6.843 -30.435 4.645 1.00 71.22 N ATOM 508 CA GLU A 33 -7.287 -29.141 5.148 1.00 41.52 C ATOM 509 C GLU A 33 -6.438 -28.012 4.569 1.00 32.02 C ATOM 510 O GLU A 33 -6.948 -26.937 4.253 1.00 50.15 O ATOM 511 CB GLU A 33 -7.220 -29.112 6.676 1.00 4.01 C ATOM 512 CG GLU A 33 -8.443 -29.709 7.351 1.00 54.25 C ATOM 513 CD GLU A 33 -8.580 -31.198 7.099 1.00 0.02 C ATOM 514 OE1 GLU A 33 -9.068 -31.573 6.012 1.00 24.23 O ATOM 515 OE2 GLU A 33 -8.200 -31.988 7.989 1.00 41.34 O ATOM 0 H GLU A 33 -6.550 -31.091 5.369 1.00 71.22 H new ATOM 0 HA GLU A 33 -8.320 -28.993 4.834 1.00 41.52 H new ATOM 0 HB2 GLU A 33 -6.334 -29.656 7.003 1.00 4.01 H new ATOM 0 HB3 GLU A 33 -7.101 -28.080 7.006 1.00 4.01 H new ATOM 0 HG2 GLU A 33 -8.385 -29.530 8.425 1.00 54.25 H new ATOM 0 HG3 GLU A 33 -9.337 -29.200 6.991 1.00 54.25 H new ATOM 522 N TYR A 34 -5.141 -28.265 4.435 1.00 51.32 N ATOM 523 CA TYR A 34 -4.220 -27.270 3.898 1.00 53.04 C ATOM 524 C TYR A 34 -4.576 -26.921 2.456 1.00 51.23 C ATOM 525 O TYR A 34 -4.395 -25.785 2.016 1.00 25.24 O ATOM 526 CB TYR A 34 -2.782 -27.785 3.969 1.00 3.33 C ATOM 527 CG TYR A 34 -1.762 -26.812 3.421 1.00 14.32 C ATOM 528 CD1 TYR A 34 -1.731 -25.491 3.852 1.00 74.20 C ATOM 529 CD2 TYR A 34 -0.830 -27.213 2.473 1.00 65.50 C ATOM 530 CE1 TYR A 34 -0.802 -24.599 3.353 1.00 13.22 C ATOM 531 CE2 TYR A 34 0.104 -26.328 1.970 1.00 62.33 C ATOM 532 CZ TYR A 34 0.113 -25.022 2.413 1.00 64.04 C ATOM 533 OH TYR A 34 1.041 -24.136 1.914 1.00 24.54 O ATOM 0 H TYR A 34 -4.704 -29.150 4.691 1.00 51.32 H new ATOM 0 HA TYR A 34 -4.306 -26.368 4.504 1.00 53.04 H new ATOM 0 HB2 TYR A 34 -2.536 -28.010 5.007 1.00 3.33 H new ATOM 0 HB3 TYR A 34 -2.713 -28.721 3.415 1.00 3.33 H new ATOM 0 HD1 TYR A 34 -2.445 -25.156 4.590 1.00 74.20 H new ATOM 0 HD2 TYR A 34 -0.835 -28.235 2.123 1.00 65.50 H new ATOM 0 HE1 TYR A 34 -0.793 -23.575 3.698 1.00 13.22 H new ATOM 0 HE2 TYR A 34 0.823 -26.657 1.234 1.00 62.33 H new ATOM 0 HH TYR A 34 0.651 -23.643 1.162 1.00 24.54 H new ATOM 543 N VAL A 35 -5.085 -27.907 1.723 1.00 12.44 N ATOM 544 CA VAL A 35 -5.469 -27.705 0.331 1.00 20.23 C ATOM 545 C VAL A 35 -6.710 -26.826 0.225 1.00 3.30 C ATOM 546 O VAL A 35 -6.712 -25.819 -0.485 1.00 3.24 O ATOM 547 CB VAL A 35 -5.742 -29.046 -0.375 1.00 63.34 C ATOM 548 CG1 VAL A 35 -6.446 -28.816 -1.704 1.00 64.51 C ATOM 549 CG2 VAL A 35 -4.445 -29.816 -0.576 1.00 1.13 C ATOM 0 H VAL A 35 -5.241 -28.853 2.070 1.00 12.44 H new ATOM 0 HA VAL A 35 -4.632 -27.208 -0.159 1.00 20.23 H new ATOM 0 HB VAL A 35 -6.398 -29.643 0.258 1.00 63.34 H new ATOM 0 HG11 VAL A 35 -6.631 -29.775 -2.189 1.00 64.51 H new ATOM 0 HG12 VAL A 35 -7.395 -28.309 -1.530 1.00 64.51 H new ATOM 0 HG13 VAL A 35 -5.817 -28.200 -2.347 1.00 64.51 H new ATOM 0 HG21 VAL A 35 -4.657 -30.761 -1.076 1.00 1.13 H new ATOM 0 HG22 VAL A 35 -3.763 -29.226 -1.188 1.00 1.13 H new ATOM 0 HG23 VAL A 35 -3.985 -30.013 0.392 1.00 1.13 H new ATOM 559 N LEU A 36 -7.764 -27.212 0.935 1.00 51.40 N ATOM 560 CA LEU A 36 -9.013 -26.458 0.922 1.00 41.33 C ATOM 561 C LEU A 36 -8.778 -25.007 1.330 1.00 23.14 C ATOM 562 O LEU A 36 -9.377 -24.088 0.770 1.00 24.11 O ATOM 563 CB LEU A 36 -10.032 -27.105 1.861 1.00 74.25 C ATOM 564 CG LEU A 36 -10.754 -28.340 1.319 1.00 12.40 C ATOM 565 CD1 LEU A 36 -9.819 -29.539 1.298 1.00 0.34 C ATOM 566 CD2 LEU A 36 -11.992 -28.641 2.151 1.00 55.04 C ATOM 0 H LEU A 36 -7.779 -28.043 1.527 1.00 51.40 H new ATOM 0 HA LEU A 36 -9.406 -26.471 -0.095 1.00 41.33 H new ATOM 0 HB2 LEU A 36 -9.521 -27.383 2.783 1.00 74.25 H new ATOM 0 HB3 LEU A 36 -10.780 -26.357 2.124 1.00 74.25 H new ATOM 0 HG LEU A 36 -11.069 -28.134 0.296 1.00 12.40 H new ATOM 0 HD11 LEU A 36 -10.350 -30.408 0.910 1.00 0.34 H new ATOM 0 HD12 LEU A 36 -8.963 -29.322 0.659 1.00 0.34 H new ATOM 0 HD13 LEU A 36 -9.473 -29.748 2.310 1.00 0.34 H new ATOM 0 HD21 LEU A 36 -12.493 -29.523 1.751 1.00 55.04 H new ATOM 0 HD22 LEU A 36 -11.699 -28.827 3.184 1.00 55.04 H new ATOM 0 HD23 LEU A 36 -12.671 -27.789 2.114 1.00 55.04 H new ATOM 578 N LEU A 37 -7.901 -24.808 2.308 1.00 20.34 N ATOM 579 CA LEU A 37 -7.584 -23.469 2.791 1.00 10.31 C ATOM 580 C LEU A 37 -6.617 -22.764 1.845 1.00 12.43 C ATOM 581 O LEU A 37 -6.670 -21.545 1.684 1.00 12.22 O ATOM 582 CB LEU A 37 -6.981 -23.541 4.195 1.00 43.40 C ATOM 583 CG LEU A 37 -7.972 -23.463 5.356 1.00 33.54 C ATOM 584 CD1 LEU A 37 -8.551 -22.062 5.472 1.00 0.10 C ATOM 585 CD2 LEU A 37 -9.083 -24.488 5.178 1.00 31.12 C ATOM 0 H LEU A 37 -7.397 -25.557 2.782 1.00 20.34 H new ATOM 0 HA LEU A 37 -8.510 -22.895 2.829 1.00 10.31 H new ATOM 0 HB2 LEU A 37 -6.423 -24.474 4.282 1.00 43.40 H new ATOM 0 HB3 LEU A 37 -6.262 -22.729 4.302 1.00 43.40 H new ATOM 0 HG LEU A 37 -7.439 -23.690 6.279 1.00 33.54 H new ATOM 0 HD11 LEU A 37 -9.254 -22.027 6.304 1.00 0.10 H new ATOM 0 HD12 LEU A 37 -7.746 -21.349 5.647 1.00 0.10 H new ATOM 0 HD13 LEU A 37 -9.069 -21.805 4.548 1.00 0.10 H new ATOM 0 HD21 LEU A 37 -9.779 -24.418 6.014 1.00 31.12 H new ATOM 0 HD22 LEU A 37 -9.613 -24.292 4.246 1.00 31.12 H new ATOM 0 HD23 LEU A 37 -8.653 -25.489 5.147 1.00 31.12 H new ATOM 597 N GLU A 38 -5.737 -23.539 1.221 1.00 65.40 N ATOM 598 CA GLU A 38 -4.759 -22.988 0.290 1.00 70.22 C ATOM 599 C GLU A 38 -5.448 -22.182 -0.808 1.00 25.12 C ATOM 600 O GLU A 38 -5.094 -21.030 -1.063 1.00 24.13 O ATOM 601 CB GLU A 38 -3.926 -24.110 -0.333 1.00 24.32 C ATOM 602 CG GLU A 38 -2.574 -24.306 0.333 1.00 31.14 C ATOM 603 CD GLU A 38 -1.416 -23.979 -0.589 1.00 50.12 C ATOM 604 OE1 GLU A 38 -1.131 -24.789 -1.496 1.00 35.35 O ATOM 605 OE2 GLU A 38 -0.794 -22.912 -0.404 1.00 54.55 O ATOM 0 H GLU A 38 -5.681 -24.550 1.343 1.00 65.40 H new ATOM 0 HA GLU A 38 -4.100 -22.322 0.847 1.00 70.22 H new ATOM 0 HB2 GLU A 38 -4.488 -25.042 -0.277 1.00 24.32 H new ATOM 0 HB3 GLU A 38 -3.773 -23.893 -1.390 1.00 24.32 H new ATOM 0 HG2 GLU A 38 -2.516 -23.676 1.221 1.00 31.14 H new ATOM 0 HG3 GLU A 38 -2.485 -25.339 0.669 1.00 31.14 H new ATOM 612 N LEU A 39 -6.432 -22.796 -1.455 1.00 12.42 N ATOM 613 CA LEU A 39 -7.171 -22.136 -2.526 1.00 72.40 C ATOM 614 C LEU A 39 -8.159 -21.121 -1.961 1.00 74.11 C ATOM 615 O LEU A 39 -8.264 -19.998 -2.457 1.00 21.24 O ATOM 616 CB LEU A 39 -7.914 -23.172 -3.372 1.00 71.00 C ATOM 617 CG LEU A 39 -7.132 -23.768 -4.543 1.00 22.22 C ATOM 618 CD1 LEU A 39 -7.934 -24.872 -5.214 1.00 21.44 C ATOM 619 CD2 LEU A 39 -6.768 -22.685 -5.548 1.00 21.02 C ATOM 0 H LEU A 39 -6.737 -23.749 -1.257 1.00 12.42 H new ATOM 0 HA LEU A 39 -6.456 -21.607 -3.155 1.00 72.40 H new ATOM 0 HB2 LEU A 39 -8.229 -23.986 -2.719 1.00 71.00 H new ATOM 0 HB3 LEU A 39 -8.820 -22.709 -3.764 1.00 71.00 H new ATOM 0 HG LEU A 39 -6.210 -24.201 -4.156 1.00 22.22 H new ATOM 0 HD11 LEU A 39 -7.361 -25.284 -6.045 1.00 21.44 H new ATOM 0 HD12 LEU A 39 -8.143 -25.661 -4.491 1.00 21.44 H new ATOM 0 HD13 LEU A 39 -8.873 -24.464 -5.588 1.00 21.44 H new ATOM 0 HD21 LEU A 39 -6.212 -23.128 -6.374 1.00 21.02 H new ATOM 0 HD22 LEU A 39 -7.678 -22.222 -5.930 1.00 21.02 H new ATOM 0 HD23 LEU A 39 -6.153 -21.928 -5.061 1.00 21.02 H new ATOM 631 N LEU A 40 -8.881 -21.522 -0.920 1.00 53.15 N ATOM 632 CA LEU A 40 -9.860 -20.646 -0.286 1.00 31.24 C ATOM 633 C LEU A 40 -9.226 -19.316 0.108 1.00 12.03 C ATOM 634 O LEU A 40 -9.754 -18.248 -0.204 1.00 41.32 O ATOM 635 CB LEU A 40 -10.456 -21.325 0.949 1.00 74.34 C ATOM 636 CG LEU A 40 -11.610 -20.588 1.629 1.00 52.31 C ATOM 637 CD1 LEU A 40 -12.671 -20.200 0.610 1.00 5.10 C ATOM 638 CD2 LEU A 40 -12.215 -21.445 2.731 1.00 12.11 C ATOM 0 H LEU A 40 -8.807 -22.447 -0.498 1.00 53.15 H new ATOM 0 HA LEU A 40 -10.655 -20.450 -1.005 1.00 31.24 H new ATOM 0 HB2 LEU A 40 -10.804 -22.317 0.661 1.00 74.34 H new ATOM 0 HB3 LEU A 40 -9.660 -21.467 1.681 1.00 74.34 H new ATOM 0 HG LEU A 40 -11.218 -19.676 2.079 1.00 52.31 H new ATOM 0 HD11 LEU A 40 -13.484 -19.677 1.113 1.00 5.10 H new ATOM 0 HD12 LEU A 40 -12.230 -19.547 -0.144 1.00 5.10 H new ATOM 0 HD13 LEU A 40 -13.060 -21.098 0.130 1.00 5.10 H new ATOM 0 HD21 LEU A 40 -13.035 -20.904 3.204 1.00 12.11 H new ATOM 0 HD22 LEU A 40 -12.592 -22.374 2.304 1.00 12.11 H new ATOM 0 HD23 LEU A 40 -11.452 -21.671 3.476 1.00 12.11 H new ATOM 650 N LEU A 41 -8.091 -19.388 0.794 1.00 43.20 N ATOM 651 CA LEU A 41 -7.382 -18.189 1.229 1.00 53.01 C ATOM 652 C LEU A 41 -6.751 -17.469 0.042 1.00 42.21 C ATOM 653 O LEU A 41 -6.694 -16.240 0.009 1.00 51.04 O ATOM 654 CB LEU A 41 -6.305 -18.552 2.252 1.00 65.42 C ATOM 655 CG LEU A 41 -5.003 -19.119 1.683 1.00 72.10 C ATOM 656 CD1 LEU A 41 -4.028 -17.997 1.361 1.00 73.22 C ATOM 657 CD2 LEU A 41 -4.380 -20.106 2.659 1.00 23.10 C ATOM 0 H LEU A 41 -7.642 -20.264 1.061 1.00 43.20 H new ATOM 0 HA LEU A 41 -8.104 -17.518 1.695 1.00 53.01 H new ATOM 0 HB2 LEU A 41 -6.067 -17.660 2.831 1.00 65.42 H new ATOM 0 HB3 LEU A 41 -6.723 -19.281 2.946 1.00 65.42 H new ATOM 0 HG LEU A 41 -5.233 -19.649 0.759 1.00 72.10 H new ATOM 0 HD11 LEU A 41 -3.108 -18.419 0.957 1.00 73.22 H new ATOM 0 HD12 LEU A 41 -4.474 -17.328 0.625 1.00 73.22 H new ATOM 0 HD13 LEU A 41 -3.803 -17.439 2.270 1.00 73.22 H new ATOM 0 HD21 LEU A 41 -3.455 -20.499 2.238 1.00 23.10 H new ATOM 0 HD22 LEU A 41 -4.164 -19.600 3.600 1.00 23.10 H new ATOM 0 HD23 LEU A 41 -5.074 -20.927 2.839 1.00 23.10 H new ATOM 669 N GLN A 42 -6.280 -18.243 -0.931 1.00 3.43 N ATOM 670 CA GLN A 42 -5.654 -17.678 -2.120 1.00 42.43 C ATOM 671 C GLN A 42 -6.648 -16.830 -2.908 1.00 63.40 C ATOM 672 O GLN A 42 -6.281 -15.813 -3.496 1.00 53.04 O ATOM 673 CB GLN A 42 -5.099 -18.792 -3.009 1.00 32.42 C ATOM 674 CG GLN A 42 -4.437 -18.285 -4.280 1.00 12.13 C ATOM 675 CD GLN A 42 -2.933 -18.475 -4.270 1.00 52.03 C ATOM 676 OE1 GLN A 42 -2.303 -18.480 -3.212 1.00 72.33 O ATOM 677 NE2 GLN A 42 -2.349 -18.633 -5.452 1.00 43.41 N ATOM 0 H GLN A 42 -6.320 -19.262 -0.919 1.00 3.43 H new ATOM 0 HA GLN A 42 -4.833 -17.038 -1.798 1.00 42.43 H new ATOM 0 HB2 GLN A 42 -4.374 -19.373 -2.439 1.00 32.42 H new ATOM 0 HB3 GLN A 42 -5.910 -19.469 -3.277 1.00 32.42 H new ATOM 0 HG2 GLN A 42 -4.860 -18.807 -5.138 1.00 12.13 H new ATOM 0 HG3 GLN A 42 -4.665 -17.227 -4.407 1.00 12.13 H new ATOM 0 HE21 GLN A 42 -2.910 -18.622 -6.304 1.00 43.41 H new ATOM 0 HE22 GLN A 42 -1.339 -18.765 -5.508 1.00 43.41 H new ATOM 686 N ARG A 43 -7.906 -17.257 -2.915 1.00 73.00 N ATOM 687 CA ARG A 43 -8.953 -16.538 -3.632 1.00 23.21 C ATOM 688 C ARG A 43 -9.894 -15.835 -2.658 1.00 40.15 C ATOM 689 O ARG A 43 -11.029 -15.505 -3.004 1.00 11.33 O ATOM 690 CB ARG A 43 -9.745 -17.500 -4.520 1.00 11.34 C ATOM 691 CG ARG A 43 -9.156 -17.670 -5.910 1.00 71.14 C ATOM 692 CD ARG A 43 -7.688 -18.061 -5.850 1.00 2.15 C ATOM 693 NE ARG A 43 -7.115 -18.246 -7.180 1.00 71.41 N ATOM 694 CZ ARG A 43 -6.810 -17.243 -7.995 1.00 52.04 C ATOM 695 NH1 ARG A 43 -7.022 -15.990 -7.618 1.00 3.24 N ATOM 696 NH2 ARG A 43 -6.292 -17.492 -9.191 1.00 71.23 N ATOM 0 H ARG A 43 -8.225 -18.097 -2.433 1.00 73.00 H new ATOM 0 HA ARG A 43 -8.478 -15.784 -4.259 1.00 23.21 H new ATOM 0 HB2 ARG A 43 -9.793 -18.474 -4.033 1.00 11.34 H new ATOM 0 HB3 ARG A 43 -10.769 -17.138 -4.610 1.00 11.34 H new ATOM 0 HG2 ARG A 43 -9.715 -18.433 -6.452 1.00 71.14 H new ATOM 0 HG3 ARG A 43 -9.263 -16.740 -6.468 1.00 71.14 H new ATOM 0 HD2 ARG A 43 -7.129 -17.290 -5.319 1.00 2.15 H new ATOM 0 HD3 ARG A 43 -7.582 -18.983 -5.278 1.00 2.15 H new ATOM 0 HE ARG A 43 -6.939 -19.198 -7.501 1.00 71.41 H new ATOM 0 HH11 ARG A 43 -7.420 -15.794 -6.700 1.00 3.24 H new ATOM 0 HH12 ARG A 43 -6.787 -15.222 -8.246 1.00 3.24 H new ATOM 0 HH21 ARG A 43 -6.128 -18.455 -9.485 1.00 71.23 H new ATOM 0 HH22 ARG A 43 -6.058 -16.721 -9.816 1.00 71.23 H new ATOM 710 N THR A 44 -9.415 -15.609 -1.439 1.00 51.20 N ATOM 711 CA THR A 44 -10.213 -14.947 -0.415 1.00 54.20 C ATOM 712 C THR A 44 -10.832 -13.659 -0.947 1.00 71.22 C ATOM 713 O THR A 44 -10.164 -12.865 -1.608 1.00 73.01 O ATOM 714 CB THR A 44 -9.369 -14.620 0.831 1.00 34.35 C ATOM 715 OG1 THR A 44 -10.218 -14.169 1.893 1.00 3.01 O ATOM 716 CG2 THR A 44 -8.330 -13.554 0.518 1.00 75.34 C ATOM 0 H THR A 44 -8.478 -15.875 -1.137 1.00 51.20 H new ATOM 0 HA THR A 44 -11.006 -15.640 -0.136 1.00 54.20 H new ATOM 0 HB THR A 44 -8.852 -15.528 1.140 1.00 34.35 H new ATOM 0 HG1 THR A 44 -9.674 -13.965 2.682 1.00 3.01 H new ATOM 0 HG21 THR A 44 -7.747 -13.340 1.414 1.00 75.34 H new ATOM 0 HG22 THR A 44 -7.667 -13.912 -0.270 1.00 75.34 H new ATOM 0 HG23 THR A 44 -8.831 -12.645 0.186 1.00 75.34 H new ATOM 724 N GLY A 45 -12.113 -13.458 -0.654 1.00 74.30 N ATOM 725 CA GLY A 45 -12.800 -12.264 -1.111 1.00 34.42 C ATOM 726 C GLY A 45 -13.818 -12.560 -2.195 1.00 44.11 C ATOM 727 O GLY A 45 -14.780 -11.813 -2.372 1.00 24.31 O ATOM 0 H GLY A 45 -12.687 -14.101 -0.108 1.00 74.30 H new ATOM 0 HA2 GLY A 45 -13.301 -11.791 -0.266 1.00 34.42 H new ATOM 0 HA3 GLY A 45 -12.068 -11.550 -1.489 1.00 34.42 H new ATOM 731 N GLU A 46 -13.604 -13.651 -2.924 1.00 23.13 N ATOM 732 CA GLU A 46 -14.509 -14.041 -3.998 1.00 51.01 C ATOM 733 C GLU A 46 -14.925 -15.502 -3.856 1.00 23.40 C ATOM 734 O GLU A 46 -14.295 -16.271 -3.129 1.00 12.45 O ATOM 735 CB GLU A 46 -13.847 -13.818 -5.359 1.00 41.23 C ATOM 736 CG GLU A 46 -12.443 -14.391 -5.454 1.00 61.15 C ATOM 737 CD GLU A 46 -11.902 -14.378 -6.871 1.00 73.31 C ATOM 738 OE1 GLU A 46 -11.613 -13.277 -7.385 1.00 74.32 O ATOM 739 OE2 GLU A 46 -11.768 -15.468 -7.466 1.00 34.14 O ATOM 0 H GLU A 46 -12.812 -14.280 -2.790 1.00 23.13 H new ATOM 0 HA GLU A 46 -15.401 -13.419 -3.930 1.00 51.01 H new ATOM 0 HB2 GLU A 46 -14.467 -14.269 -6.134 1.00 41.23 H new ATOM 0 HB3 GLU A 46 -13.808 -12.748 -5.564 1.00 41.23 H new ATOM 0 HG2 GLU A 46 -11.776 -13.818 -4.809 1.00 61.15 H new ATOM 0 HG3 GLU A 46 -12.446 -15.415 -5.080 1.00 61.15 H new ATOM 746 N VAL A 47 -15.990 -15.879 -4.556 1.00 31.30 N ATOM 747 CA VAL A 47 -16.491 -17.248 -4.509 1.00 44.00 C ATOM 748 C VAL A 47 -15.833 -18.111 -5.580 1.00 4.30 C ATOM 749 O VAL A 47 -15.954 -17.837 -6.775 1.00 3.43 O ATOM 750 CB VAL A 47 -18.019 -17.293 -4.696 1.00 63.40 C ATOM 751 CG1 VAL A 47 -18.549 -18.692 -4.420 1.00 72.01 C ATOM 752 CG2 VAL A 47 -18.696 -16.270 -3.797 1.00 22.44 C ATOM 0 H VAL A 47 -16.523 -15.256 -5.163 1.00 31.30 H new ATOM 0 HA VAL A 47 -16.241 -17.643 -3.524 1.00 44.00 H new ATOM 0 HB VAL A 47 -18.249 -17.041 -5.731 1.00 63.40 H new ATOM 0 HG11 VAL A 47 -19.630 -18.705 -4.557 1.00 72.01 H new ATOM 0 HG12 VAL A 47 -18.087 -19.399 -5.110 1.00 72.01 H new ATOM 0 HG13 VAL A 47 -18.310 -18.976 -3.395 1.00 72.01 H new ATOM 0 HG21 VAL A 47 -19.775 -16.316 -3.942 1.00 22.44 H new ATOM 0 HG22 VAL A 47 -18.460 -16.489 -2.755 1.00 22.44 H new ATOM 0 HG23 VAL A 47 -18.338 -15.272 -4.048 1.00 22.44 H new ATOM 762 N LEU A 48 -15.136 -19.155 -5.145 1.00 11.11 N ATOM 763 CA LEU A 48 -14.458 -20.060 -6.067 1.00 32.14 C ATOM 764 C LEU A 48 -15.133 -21.428 -6.081 1.00 24.11 C ATOM 765 O LEU A 48 -15.832 -21.813 -5.143 1.00 44.22 O ATOM 766 CB LEU A 48 -12.986 -20.208 -5.677 1.00 35.42 C ATOM 767 CG LEU A 48 -12.690 -20.247 -4.177 1.00 42.52 C ATOM 768 CD1 LEU A 48 -11.454 -21.088 -3.899 1.00 3.51 C ATOM 769 CD2 LEU A 48 -12.512 -18.837 -3.633 1.00 3.32 C ATOM 0 H LEU A 48 -15.025 -19.396 -4.160 1.00 11.11 H new ATOM 0 HA LEU A 48 -14.521 -19.634 -7.068 1.00 32.14 H new ATOM 0 HB2 LEU A 48 -12.602 -21.124 -6.127 1.00 35.42 H new ATOM 0 HB3 LEU A 48 -12.430 -19.380 -6.115 1.00 35.42 H new ATOM 0 HG LEU A 48 -13.538 -20.707 -3.670 1.00 42.52 H new ATOM 0 HD11 LEU A 48 -11.259 -21.104 -2.827 1.00 3.51 H new ATOM 0 HD12 LEU A 48 -11.619 -22.105 -4.253 1.00 3.51 H new ATOM 0 HD13 LEU A 48 -10.597 -20.658 -4.417 1.00 3.51 H new ATOM 0 HD21 LEU A 48 -12.302 -18.883 -2.564 1.00 3.32 H new ATOM 0 HD22 LEU A 48 -11.681 -18.351 -4.145 1.00 3.32 H new ATOM 0 HD23 LEU A 48 -13.425 -18.265 -3.799 1.00 3.32 H new ATOM 781 N PRO A 49 -14.918 -22.183 -7.169 1.00 2.32 N ATOM 782 CA PRO A 49 -15.494 -23.521 -7.330 1.00 42.03 C ATOM 783 C PRO A 49 -14.871 -24.539 -6.381 1.00 42.30 C ATOM 784 O PRO A 49 -13.729 -24.380 -5.949 1.00 30.53 O ATOM 785 CB PRO A 49 -15.167 -23.875 -8.783 1.00 41.12 C ATOM 786 CG PRO A 49 -13.960 -23.064 -9.108 1.00 72.03 C ATOM 787 CD PRO A 49 -14.095 -21.788 -8.325 1.00 14.23 C ATOM 0 HA PRO A 49 -16.560 -23.536 -7.102 1.00 42.03 H new ATOM 0 HB2 PRO A 49 -14.970 -24.941 -8.896 1.00 41.12 H new ATOM 0 HB3 PRO A 49 -15.997 -23.632 -9.446 1.00 41.12 H new ATOM 0 HG2 PRO A 49 -13.048 -23.595 -8.835 1.00 72.03 H new ATOM 0 HG3 PRO A 49 -13.902 -22.861 -10.177 1.00 72.03 H new ATOM 0 HD2 PRO A 49 -13.124 -21.403 -8.014 1.00 14.23 H new ATOM 0 HD3 PRO A 49 -14.576 -21.005 -8.912 1.00 14.23 H new ATOM 795 N ARG A 50 -15.628 -25.583 -6.061 1.00 24.20 N ATOM 796 CA ARG A 50 -15.149 -26.627 -5.162 1.00 52.50 C ATOM 797 C ARG A 50 -14.464 -27.745 -5.942 1.00 52.44 C ATOM 798 O ARG A 50 -13.618 -28.461 -5.407 1.00 14.11 O ATOM 799 CB ARG A 50 -16.310 -27.197 -4.345 1.00 60.33 C ATOM 800 CG ARG A 50 -15.950 -28.456 -3.573 1.00 11.25 C ATOM 801 CD ARG A 50 -16.443 -29.706 -4.284 1.00 23.31 C ATOM 802 NE ARG A 50 -17.824 -30.027 -3.934 1.00 2.11 N ATOM 803 CZ ARG A 50 -18.606 -30.810 -4.669 1.00 45.32 C ATOM 804 NH1 ARG A 50 -18.144 -31.349 -5.789 1.00 31.20 N ATOM 805 NH2 ARG A 50 -19.852 -31.055 -4.285 1.00 4.35 N ATOM 0 H ARG A 50 -16.575 -25.729 -6.410 1.00 24.20 H new ATOM 0 HA ARG A 50 -14.420 -26.182 -4.484 1.00 52.50 H new ATOM 0 HB2 ARG A 50 -16.657 -26.438 -3.644 1.00 60.33 H new ATOM 0 HB3 ARG A 50 -17.141 -27.417 -5.015 1.00 60.33 H new ATOM 0 HG2 ARG A 50 -14.869 -28.510 -3.447 1.00 11.25 H new ATOM 0 HG3 ARG A 50 -16.385 -28.409 -2.575 1.00 11.25 H new ATOM 0 HD2 ARG A 50 -16.366 -29.564 -5.362 1.00 23.31 H new ATOM 0 HD3 ARG A 50 -15.799 -30.547 -4.027 1.00 23.31 H new ATOM 0 HE ARG A 50 -18.209 -29.628 -3.078 1.00 2.11 H new ATOM 0 HH11 ARG A 50 -17.187 -31.163 -6.088 1.00 31.20 H new ATOM 0 HH12 ARG A 50 -18.746 -31.950 -6.352 1.00 31.20 H new ATOM 0 HH21 ARG A 50 -20.211 -30.642 -3.424 1.00 4.35 H new ATOM 0 HH22 ARG A 50 -20.451 -31.656 -4.851 1.00 4.35 H new ATOM 819 N SER A 51 -14.836 -27.888 -7.210 1.00 50.05 N ATOM 820 CA SER A 51 -14.261 -28.921 -8.064 1.00 21.45 C ATOM 821 C SER A 51 -12.743 -28.783 -8.136 1.00 72.31 C ATOM 822 O SER A 51 -12.010 -29.757 -7.957 1.00 11.12 O ATOM 823 CB SER A 51 -14.859 -28.843 -9.469 1.00 72.24 C ATOM 824 OG SER A 51 -14.569 -27.597 -10.079 1.00 23.32 O ATOM 0 H SER A 51 -15.533 -27.302 -7.669 1.00 50.05 H new ATOM 0 HA SER A 51 -14.500 -29.892 -7.629 1.00 21.45 H new ATOM 0 HB2 SER A 51 -14.462 -29.652 -10.082 1.00 72.24 H new ATOM 0 HB3 SER A 51 -15.939 -28.983 -9.416 1.00 72.24 H new ATOM 0 HG SER A 51 -14.961 -27.573 -10.977 1.00 23.32 H new ATOM 830 N LEU A 52 -12.278 -27.567 -8.400 1.00 72.31 N ATOM 831 CA LEU A 52 -10.847 -27.300 -8.497 1.00 14.42 C ATOM 832 C LEU A 52 -10.121 -27.759 -7.237 1.00 11.25 C ATOM 833 O LEU A 52 -9.126 -28.480 -7.310 1.00 31.40 O ATOM 834 CB LEU A 52 -10.602 -25.807 -8.725 1.00 71.24 C ATOM 835 CG LEU A 52 -9.140 -25.380 -8.861 1.00 30.32 C ATOM 836 CD1 LEU A 52 -8.494 -26.061 -10.058 1.00 1.34 C ATOM 837 CD2 LEU A 52 -9.035 -23.867 -8.984 1.00 75.25 C ATOM 0 H LEU A 52 -12.871 -26.751 -8.551 1.00 72.31 H new ATOM 0 HA LEU A 52 -10.454 -27.861 -9.345 1.00 14.42 H new ATOM 0 HB2 LEU A 52 -11.133 -25.506 -9.628 1.00 71.24 H new ATOM 0 HB3 LEU A 52 -11.045 -25.256 -7.896 1.00 71.24 H new ATOM 0 HG LEU A 52 -8.606 -25.689 -7.962 1.00 30.32 H new ATOM 0 HD11 LEU A 52 -7.454 -25.745 -10.139 1.00 1.34 H new ATOM 0 HD12 LEU A 52 -8.536 -27.142 -9.928 1.00 1.34 H new ATOM 0 HD13 LEU A 52 -9.029 -25.784 -10.967 1.00 1.34 H new ATOM 0 HD21 LEU A 52 -7.987 -23.582 -9.080 1.00 75.25 H new ATOM 0 HD22 LEU A 52 -9.584 -23.535 -9.865 1.00 75.25 H new ATOM 0 HD23 LEU A 52 -9.459 -23.399 -8.095 1.00 75.25 H new ATOM 849 N ILE A 53 -10.626 -27.338 -6.082 1.00 54.41 N ATOM 850 CA ILE A 53 -10.028 -27.709 -4.806 1.00 44.50 C ATOM 851 C ILE A 53 -9.879 -29.222 -4.687 1.00 54.45 C ATOM 852 O ILE A 53 -8.801 -29.728 -4.377 1.00 11.54 O ATOM 853 CB ILE A 53 -10.864 -27.191 -3.620 1.00 64.54 C ATOM 854 CG1 ILE A 53 -11.021 -25.672 -3.703 1.00 41.24 C ATOM 855 CG2 ILE A 53 -10.217 -27.591 -2.302 1.00 74.34 C ATOM 856 CD1 ILE A 53 -12.223 -25.147 -2.950 1.00 4.35 C ATOM 0 H ILE A 53 -11.448 -26.739 -6.004 1.00 54.41 H new ATOM 0 HA ILE A 53 -9.042 -27.246 -4.774 1.00 44.50 H new ATOM 0 HB ILE A 53 -11.855 -27.642 -3.668 1.00 64.54 H new ATOM 0 HG12 ILE A 53 -10.121 -25.200 -3.309 1.00 41.24 H new ATOM 0 HG13 ILE A 53 -11.102 -25.380 -4.750 1.00 41.24 H new ATOM 0 HG21 ILE A 53 -10.819 -27.218 -1.473 1.00 74.34 H new ATOM 0 HG22 ILE A 53 -10.152 -28.678 -2.243 1.00 74.34 H new ATOM 0 HG23 ILE A 53 -9.216 -27.164 -2.244 1.00 74.34 H new ATOM 0 HD11 ILE A 53 -12.272 -24.063 -3.052 1.00 4.35 H new ATOM 0 HD12 ILE A 53 -13.131 -25.591 -3.359 1.00 4.35 H new ATOM 0 HD13 ILE A 53 -12.134 -25.408 -1.895 1.00 4.35 H new ATOM 868 N SER A 54 -10.970 -29.939 -4.939 1.00 63.00 N ATOM 869 CA SER A 54 -10.962 -31.395 -4.859 1.00 30.03 C ATOM 870 C SER A 54 -9.857 -31.981 -5.732 1.00 70.41 C ATOM 871 O SER A 54 -9.307 -33.040 -5.429 1.00 31.21 O ATOM 872 CB SER A 54 -12.319 -31.958 -5.287 1.00 2.41 C ATOM 873 OG SER A 54 -12.431 -31.999 -6.699 1.00 13.41 O ATOM 0 H SER A 54 -11.870 -29.536 -5.200 1.00 63.00 H new ATOM 0 HA SER A 54 -10.770 -31.676 -3.824 1.00 30.03 H new ATOM 0 HB2 SER A 54 -12.445 -32.961 -4.880 1.00 2.41 H new ATOM 0 HB3 SER A 54 -13.118 -31.343 -4.873 1.00 2.41 H new ATOM 0 HG SER A 54 -12.287 -31.101 -7.065 1.00 13.41 H new ATOM 879 N SER A 55 -9.537 -31.285 -6.818 1.00 54.01 N ATOM 880 CA SER A 55 -8.501 -31.737 -7.739 1.00 21.33 C ATOM 881 C SER A 55 -7.115 -31.562 -7.125 1.00 51.33 C ATOM 882 O SER A 55 -6.187 -32.311 -7.433 1.00 34.41 O ATOM 883 CB SER A 55 -8.589 -30.967 -9.057 1.00 42.35 C ATOM 884 OG SER A 55 -7.896 -31.645 -10.091 1.00 52.44 O ATOM 0 H SER A 55 -9.981 -30.405 -7.082 1.00 54.01 H new ATOM 0 HA SER A 55 -8.661 -32.797 -7.935 1.00 21.33 H new ATOM 0 HB2 SER A 55 -9.634 -30.840 -9.338 1.00 42.35 H new ATOM 0 HB3 SER A 55 -8.170 -29.969 -8.928 1.00 42.35 H new ATOM 0 HG SER A 55 -7.969 -31.133 -10.924 1.00 52.44 H new ATOM 890 N LEU A 56 -6.982 -30.566 -6.256 1.00 21.10 N ATOM 891 CA LEU A 56 -5.710 -30.290 -5.598 1.00 24.22 C ATOM 892 C LEU A 56 -5.412 -31.336 -4.528 1.00 0.21 C ATOM 893 O LEU A 56 -4.307 -31.389 -3.987 1.00 14.21 O ATOM 894 CB LEU A 56 -5.729 -28.895 -4.972 1.00 1.42 C ATOM 895 CG LEU A 56 -5.000 -27.799 -5.751 1.00 24.42 C ATOM 896 CD1 LEU A 56 -5.982 -26.998 -6.591 1.00 3.32 C ATOM 897 CD2 LEU A 56 -4.238 -26.886 -4.801 1.00 60.41 C ATOM 0 H LEU A 56 -7.739 -29.936 -5.991 1.00 21.10 H new ATOM 0 HA LEU A 56 -4.923 -30.333 -6.351 1.00 24.22 H new ATOM 0 HB2 LEU A 56 -6.768 -28.591 -4.842 1.00 1.42 H new ATOM 0 HB3 LEU A 56 -5.289 -28.959 -3.977 1.00 1.42 H new ATOM 0 HG LEU A 56 -4.282 -28.272 -6.421 1.00 24.42 H new ATOM 0 HD11 LEU A 56 -5.445 -26.223 -7.138 1.00 3.32 H new ATOM 0 HD12 LEU A 56 -6.482 -27.661 -7.297 1.00 3.32 H new ATOM 0 HD13 LEU A 56 -6.724 -26.535 -5.941 1.00 3.32 H new ATOM 0 HD21 LEU A 56 -3.725 -26.112 -5.373 1.00 60.41 H new ATOM 0 HD22 LEU A 56 -4.936 -26.421 -4.105 1.00 60.41 H new ATOM 0 HD23 LEU A 56 -3.506 -27.470 -4.244 1.00 60.41 H new ATOM 909 N VAL A 57 -6.404 -32.168 -4.229 1.00 14.04 N ATOM 910 CA VAL A 57 -6.248 -33.215 -3.226 1.00 12.11 C ATOM 911 C VAL A 57 -6.570 -34.586 -3.809 1.00 21.43 C ATOM 912 O VAL A 57 -5.671 -35.380 -4.087 1.00 41.00 O ATOM 913 CB VAL A 57 -7.153 -32.963 -2.005 1.00 53.35 C ATOM 914 CG1 VAL A 57 -6.347 -32.386 -0.852 1.00 45.12 C ATOM 915 CG2 VAL A 57 -8.303 -32.039 -2.377 1.00 51.43 C ATOM 0 H VAL A 57 -7.325 -32.138 -4.667 1.00 14.04 H new ATOM 0 HA VAL A 57 -5.206 -33.194 -2.906 1.00 12.11 H new ATOM 0 HB VAL A 57 -7.572 -33.916 -1.682 1.00 53.35 H new ATOM 0 HG11 VAL A 57 -7.004 -32.215 0.001 1.00 45.12 H new ATOM 0 HG12 VAL A 57 -5.561 -33.087 -0.570 1.00 45.12 H new ATOM 0 HG13 VAL A 57 -5.897 -31.442 -1.159 1.00 45.12 H new ATOM 0 HG21 VAL A 57 -8.932 -31.872 -1.503 1.00 51.43 H new ATOM 0 HG22 VAL A 57 -7.906 -31.086 -2.726 1.00 51.43 H new ATOM 0 HG23 VAL A 57 -8.896 -32.497 -3.169 1.00 51.43 H new ATOM 925 N TRP A 58 -7.857 -34.858 -3.991 1.00 61.12 N ATOM 926 CA TRP A 58 -8.298 -36.135 -4.542 1.00 3.30 C ATOM 927 C TRP A 58 -8.190 -36.138 -6.063 1.00 2.22 C ATOM 928 O TRP A 58 -7.285 -36.750 -6.629 1.00 33.24 O ATOM 929 CB TRP A 58 -9.739 -36.425 -4.120 1.00 21.20 C ATOM 930 CG TRP A 58 -10.313 -37.648 -4.769 1.00 22.42 C ATOM 931 CD1 TRP A 58 -11.027 -37.701 -5.932 1.00 1.33 C ATOM 932 CD2 TRP A 58 -10.222 -38.995 -4.290 1.00 53.33 C ATOM 933 NE1 TRP A 58 -11.386 -38.999 -6.205 1.00 2.30 N ATOM 934 CE2 TRP A 58 -10.904 -39.812 -5.214 1.00 5.33 C ATOM 935 CE3 TRP A 58 -9.630 -39.590 -3.173 1.00 54.10 C ATOM 936 CZ2 TRP A 58 -11.009 -41.191 -5.051 1.00 43.52 C ATOM 937 CZ3 TRP A 58 -9.736 -40.958 -3.013 1.00 60.41 C ATOM 938 CH2 TRP A 58 -10.420 -41.747 -3.948 1.00 41.42 C ATOM 0 H TRP A 58 -8.614 -34.212 -3.765 1.00 61.12 H new ATOM 0 HA TRP A 58 -7.647 -36.916 -4.149 1.00 3.30 H new ATOM 0 HB2 TRP A 58 -9.776 -36.546 -3.037 1.00 21.20 H new ATOM 0 HB3 TRP A 58 -10.362 -35.565 -4.366 1.00 21.20 H new ATOM 0 HD1 TRP A 58 -11.273 -36.848 -6.547 1.00 1.33 H new ATOM 0 HE1 TRP A 58 -11.924 -39.307 -7.015 1.00 2.30 H new ATOM 0 HE3 TRP A 58 -9.099 -38.991 -2.448 1.00 54.10 H new ATOM 0 HZ2 TRP A 58 -11.537 -41.800 -5.770 1.00 43.52 H new ATOM 0 HZ3 TRP A 58 -9.284 -41.428 -2.152 1.00 60.41 H new ATOM 0 HH2 TRP A 58 -10.483 -42.814 -3.795 1.00 41.42 H new ATOM 949 N ASN A 59 -9.118 -35.449 -6.719 1.00 72.31 N ATOM 950 CA ASN A 59 -9.127 -35.374 -8.176 1.00 3.55 C ATOM 951 C ASN A 59 -10.292 -34.522 -8.669 1.00 53.11 C ATOM 952 O ASN A 59 -11.178 -34.156 -7.897 1.00 24.14 O ATOM 953 CB ASN A 59 -9.214 -36.777 -8.779 1.00 41.45 C ATOM 954 CG ASN A 59 -8.261 -36.965 -9.944 1.00 53.24 C ATOM 955 OD1 ASN A 59 -8.610 -36.700 -11.095 1.00 12.01 O ATOM 956 ND2 ASN A 59 -7.051 -37.425 -9.650 1.00 42.22 N ATOM 0 H ASN A 59 -9.873 -34.935 -6.265 1.00 72.31 H new ATOM 0 HA ASN A 59 -8.197 -34.906 -8.497 1.00 3.55 H new ATOM 0 HB2 ASN A 59 -8.992 -37.515 -8.008 1.00 41.45 H new ATOM 0 HB3 ASN A 59 -10.234 -36.963 -9.114 1.00 41.45 H new ATOM 0 HD21 ASN A 59 -6.367 -37.572 -10.392 1.00 42.22 H new ATOM 0 HD22 ASN A 59 -6.805 -37.631 -8.682 1.00 42.22 H new ATOM 963 N MET A 60 -10.285 -34.211 -9.961 1.00 51.32 N ATOM 964 CA MET A 60 -11.343 -33.404 -10.558 1.00 41.33 C ATOM 965 C MET A 60 -12.380 -34.288 -11.243 1.00 53.22 C ATOM 966 O MET A 60 -12.035 -35.255 -11.920 1.00 21.42 O ATOM 967 CB MET A 60 -10.753 -32.416 -11.566 1.00 44.42 C ATOM 968 CG MET A 60 -10.079 -33.087 -12.752 1.00 3.20 C ATOM 969 SD MET A 60 -8.830 -32.040 -13.525 1.00 74.42 S ATOM 970 CE MET A 60 -9.823 -31.165 -14.732 1.00 41.20 C ATOM 0 H MET A 60 -9.559 -34.505 -10.614 1.00 51.32 H new ATOM 0 HA MET A 60 -11.835 -32.848 -9.760 1.00 41.33 H new ATOM 0 HB2 MET A 60 -11.547 -31.764 -11.931 1.00 44.42 H new ATOM 0 HB3 MET A 60 -10.027 -31.781 -11.058 1.00 44.42 H new ATOM 0 HG2 MET A 60 -9.615 -34.017 -12.423 1.00 3.20 H new ATOM 0 HG3 MET A 60 -10.834 -33.352 -13.492 1.00 3.20 H new ATOM 0 HE1 MET A 60 -9.191 -30.476 -15.293 1.00 41.20 H new ATOM 0 HE2 MET A 60 -10.277 -31.881 -15.417 1.00 41.20 H new ATOM 0 HE3 MET A 60 -10.606 -30.605 -14.221 1.00 41.20 H new ATOM 980 N ASN A 61 -13.653 -33.949 -11.062 1.00 45.53 N ATOM 981 CA ASN A 61 -14.740 -34.713 -11.662 1.00 51.35 C ATOM 982 C ASN A 61 -16.068 -33.975 -11.518 1.00 44.23 C ATOM 983 O ASN A 61 -16.299 -33.278 -10.530 1.00 21.33 O ATOM 984 CB ASN A 61 -14.839 -36.095 -11.014 1.00 1.35 C ATOM 985 CG ASN A 61 -14.089 -37.156 -11.796 1.00 3.44 C ATOM 986 OD1 ASN A 61 -13.249 -37.869 -11.247 1.00 31.51 O ATOM 987 ND2 ASN A 61 -14.389 -37.263 -13.085 1.00 30.24 N ATOM 0 H ASN A 61 -13.956 -33.150 -10.505 1.00 45.53 H new ATOM 0 HA ASN A 61 -14.524 -34.832 -12.724 1.00 51.35 H new ATOM 0 HB2 ASN A 61 -14.442 -36.047 -10.000 1.00 1.35 H new ATOM 0 HB3 ASN A 61 -15.888 -36.381 -10.933 1.00 1.35 H new ATOM 0 HD21 ASN A 61 -13.916 -37.958 -13.663 1.00 30.24 H new ATOM 0 HD22 ASN A 61 -15.092 -36.650 -13.497 1.00 30.24 H new ATOM 994 N PHE A 62 -16.937 -34.133 -12.511 1.00 10.12 N ATOM 995 CA PHE A 62 -18.242 -33.482 -12.495 1.00 42.23 C ATOM 996 C PHE A 62 -19.008 -33.829 -11.222 1.00 4.42 C ATOM 997 O PHE A 62 -19.854 -33.060 -10.765 1.00 20.11 O ATOM 998 CB PHE A 62 -19.057 -33.896 -13.722 1.00 45.45 C ATOM 999 CG PHE A 62 -20.374 -33.184 -13.835 1.00 35.02 C ATOM 1000 CD1 PHE A 62 -20.423 -31.832 -14.135 1.00 35.13 C ATOM 1001 CD2 PHE A 62 -21.564 -33.867 -13.641 1.00 53.10 C ATOM 1002 CE1 PHE A 62 -21.635 -31.175 -14.238 1.00 1.12 C ATOM 1003 CE2 PHE A 62 -22.779 -33.215 -13.743 1.00 61.13 C ATOM 1004 CZ PHE A 62 -22.814 -31.867 -14.043 1.00 70.41 C ATOM 0 H PHE A 62 -16.761 -34.706 -13.336 1.00 10.12 H new ATOM 0 HA PHE A 62 -18.082 -32.404 -12.520 1.00 42.23 H new ATOM 0 HB2 PHE A 62 -18.470 -33.703 -14.620 1.00 45.45 H new ATOM 0 HB3 PHE A 62 -19.236 -34.970 -13.684 1.00 45.45 H new ATOM 0 HD1 PHE A 62 -19.504 -31.286 -14.290 1.00 35.13 H new ATOM 0 HD2 PHE A 62 -21.542 -34.921 -13.407 1.00 53.10 H new ATOM 0 HE1 PHE A 62 -21.660 -30.121 -14.471 1.00 1.12 H new ATOM 0 HE2 PHE A 62 -23.699 -33.759 -13.588 1.00 61.13 H new ATOM 0 HZ PHE A 62 -23.762 -31.355 -14.125 1.00 70.41 H new ATOM 1014 N ASP A 63 -18.704 -34.991 -10.654 1.00 54.25 N ATOM 1015 CA ASP A 63 -19.363 -35.441 -9.434 1.00 0.55 C ATOM 1016 C ASP A 63 -18.646 -34.903 -8.199 1.00 44.44 C ATOM 1017 O ASP A 63 -17.769 -34.045 -8.303 1.00 65.24 O ATOM 1018 CB ASP A 63 -19.409 -36.969 -9.387 1.00 2.44 C ATOM 1019 CG ASP A 63 -20.770 -37.495 -8.975 1.00 2.40 C ATOM 1020 OD1 ASP A 63 -21.787 -36.951 -9.456 1.00 65.40 O ATOM 1021 OD2 ASP A 63 -20.818 -38.450 -8.173 1.00 13.04 O ATOM 0 H ASP A 63 -18.005 -35.638 -11.019 1.00 54.25 H new ATOM 0 HA ASP A 63 -20.382 -35.055 -9.438 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -19.150 -37.368 -10.368 1.00 2.44 H new ATOM 0 HB3 ASP A 63 -18.656 -37.331 -8.687 1.00 2.44 H new ATOM 1026 N SER A 64 -19.025 -35.411 -7.032 1.00 33.54 N ATOM 1027 CA SER A 64 -18.422 -34.979 -5.777 1.00 2.33 C ATOM 1028 C SER A 64 -18.022 -36.179 -4.924 1.00 45.20 C ATOM 1029 O SER A 64 -18.852 -37.026 -4.597 1.00 33.44 O ATOM 1030 CB SER A 64 -19.393 -34.088 -5.000 1.00 11.13 C ATOM 1031 OG SER A 64 -20.390 -34.862 -4.354 1.00 44.53 O ATOM 0 H SER A 64 -19.748 -36.123 -6.929 1.00 33.54 H new ATOM 0 HA SER A 64 -17.524 -34.407 -6.012 1.00 2.33 H new ATOM 0 HB2 SER A 64 -18.844 -33.505 -4.260 1.00 11.13 H new ATOM 0 HB3 SER A 64 -19.863 -33.378 -5.680 1.00 11.13 H new ATOM 0 HG SER A 64 -20.236 -35.812 -4.538 1.00 44.53 H new ATOM 1037 N ASP A 65 -16.743 -36.243 -4.568 1.00 73.51 N ATOM 1038 CA ASP A 65 -16.231 -37.339 -3.753 1.00 12.44 C ATOM 1039 C ASP A 65 -16.805 -37.279 -2.340 1.00 51.04 C ATOM 1040 O ASP A 65 -16.215 -36.677 -1.443 1.00 4.21 O ATOM 1041 CB ASP A 65 -14.703 -37.291 -3.698 1.00 14.00 C ATOM 1042 CG ASP A 65 -14.060 -37.998 -4.874 1.00 62.14 C ATOM 1043 OD1 ASP A 65 -13.920 -37.366 -5.942 1.00 53.11 O ATOM 1044 OD2 ASP A 65 -13.696 -39.184 -4.728 1.00 33.12 O ATOM 0 H ASP A 65 -16.043 -35.550 -4.831 1.00 73.51 H new ATOM 0 HA ASP A 65 -16.541 -38.277 -4.213 1.00 12.44 H new ATOM 0 HB2 ASP A 65 -14.375 -36.252 -3.679 1.00 14.00 H new ATOM 0 HB3 ASP A 65 -14.361 -37.750 -2.770 1.00 14.00 H new ATOM 1049 N THR A 66 -17.961 -37.907 -2.150 1.00 14.22 N ATOM 1050 CA THR A 66 -18.617 -37.923 -0.848 1.00 64.51 C ATOM 1051 C THR A 66 -18.541 -36.557 -0.177 1.00 52.21 C ATOM 1052 O THR A 66 -18.426 -36.460 1.044 1.00 60.02 O ATOM 1053 CB THR A 66 -17.987 -38.976 0.084 1.00 14.11 C ATOM 1054 OG1 THR A 66 -18.745 -39.072 1.296 1.00 64.43 O ATOM 1055 CG2 THR A 66 -16.545 -38.618 0.409 1.00 40.12 C ATOM 0 H THR A 66 -18.462 -38.411 -2.881 1.00 14.22 H new ATOM 0 HA THR A 66 -19.662 -38.181 -1.023 1.00 64.51 H new ATOM 0 HB THR A 66 -17.999 -39.937 -0.429 1.00 14.11 H new ATOM 0 HG1 THR A 66 -18.936 -38.172 1.635 1.00 64.43 H new ATOM 0 HG21 THR A 66 -16.122 -39.376 1.068 1.00 40.12 H new ATOM 0 HG22 THR A 66 -15.965 -38.573 -0.513 1.00 40.12 H new ATOM 0 HG23 THR A 66 -16.514 -37.648 0.905 1.00 40.12 H new ATOM 1063 N ASN A 67 -18.608 -35.502 -0.983 1.00 64.34 N ATOM 1064 CA ASN A 67 -18.547 -34.140 -0.467 1.00 1.14 C ATOM 1065 C ASN A 67 -17.446 -34.004 0.580 1.00 5.14 C ATOM 1066 O ASN A 67 -17.622 -33.336 1.599 1.00 4.51 O ATOM 1067 CB ASN A 67 -19.894 -33.742 0.139 1.00 12.35 C ATOM 1068 CG ASN A 67 -21.008 -33.721 -0.890 1.00 23.33 C ATOM 1069 OD1 ASN A 67 -22.044 -34.361 -0.712 1.00 32.40 O ATOM 1070 ND2 ASN A 67 -20.798 -32.984 -1.974 1.00 3.42 N ATOM 0 H ASN A 67 -18.705 -35.565 -1.996 1.00 64.34 H new ATOM 0 HA ASN A 67 -18.318 -33.473 -1.298 1.00 1.14 H new ATOM 0 HB2 ASN A 67 -20.152 -34.441 0.935 1.00 12.35 H new ATOM 0 HB3 ASN A 67 -19.807 -32.756 0.596 1.00 12.35 H new ATOM 0 HD21 ASN A 67 -21.511 -32.932 -2.701 1.00 3.42 H new ATOM 0 HD22 ASN A 67 -19.923 -32.470 -2.079 1.00 3.42 H new ATOM 1077 N VAL A 68 -16.309 -34.642 0.322 1.00 65.04 N ATOM 1078 CA VAL A 68 -15.177 -34.591 1.240 1.00 33.30 C ATOM 1079 C VAL A 68 -14.732 -33.154 1.485 1.00 50.24 C ATOM 1080 O VAL A 68 -14.145 -32.843 2.522 1.00 75.12 O ATOM 1081 CB VAL A 68 -13.983 -35.403 0.705 1.00 62.03 C ATOM 1082 CG1 VAL A 68 -13.525 -34.857 -0.639 1.00 75.24 C ATOM 1083 CG2 VAL A 68 -12.841 -35.395 1.709 1.00 5.13 C ATOM 0 H VAL A 68 -16.147 -35.201 -0.516 1.00 65.04 H new ATOM 0 HA VAL A 68 -15.512 -35.029 2.180 1.00 33.30 H new ATOM 0 HB VAL A 68 -14.303 -36.435 0.561 1.00 62.03 H new ATOM 0 HG11 VAL A 68 -12.681 -35.443 -1.001 1.00 75.24 H new ATOM 0 HG12 VAL A 68 -14.344 -34.920 -1.355 1.00 75.24 H new ATOM 0 HG13 VAL A 68 -13.222 -33.816 -0.525 1.00 75.24 H new ATOM 0 HG21 VAL A 68 -12.006 -35.974 1.315 1.00 5.13 H new ATOM 0 HG22 VAL A 68 -12.520 -34.369 1.887 1.00 5.13 H new ATOM 0 HG23 VAL A 68 -13.178 -35.837 2.647 1.00 5.13 H new ATOM 1093 N ILE A 69 -15.015 -32.281 0.523 1.00 21.15 N ATOM 1094 CA ILE A 69 -14.645 -30.876 0.635 1.00 1.34 C ATOM 1095 C ILE A 69 -15.437 -30.185 1.741 1.00 64.22 C ATOM 1096 O ILE A 69 -14.861 -29.638 2.682 1.00 71.23 O ATOM 1097 CB ILE A 69 -14.874 -30.126 -0.690 1.00 54.21 C ATOM 1098 CG1 ILE A 69 -14.053 -30.765 -1.812 1.00 5.45 C ATOM 1099 CG2 ILE A 69 -14.517 -28.655 -0.536 1.00 24.25 C ATOM 1100 CD1 ILE A 69 -12.559 -30.675 -1.592 1.00 44.33 C ATOM 0 H ILE A 69 -15.499 -32.522 -0.342 1.00 21.15 H new ATOM 0 HA ILE A 69 -13.583 -30.848 0.880 1.00 1.34 H new ATOM 0 HB ILE A 69 -15.930 -30.197 -0.952 1.00 54.21 H new ATOM 0 HG12 ILE A 69 -14.336 -31.813 -1.907 1.00 5.45 H new ATOM 0 HG13 ILE A 69 -14.303 -30.281 -2.756 1.00 5.45 H new ATOM 0 HG21 ILE A 69 -14.684 -28.139 -1.481 1.00 24.25 H new ATOM 0 HG22 ILE A 69 -15.142 -28.208 0.237 1.00 24.25 H new ATOM 0 HG23 ILE A 69 -13.468 -28.563 -0.253 1.00 24.25 H new ATOM 0 HD11 ILE A 69 -12.039 -31.148 -2.425 1.00 44.33 H new ATOM 0 HD12 ILE A 69 -12.263 -29.628 -1.527 1.00 44.33 H new ATOM 0 HD13 ILE A 69 -12.296 -31.184 -0.665 1.00 44.33 H new ATOM 1112 N ASP A 70 -16.759 -30.216 1.621 1.00 12.11 N ATOM 1113 CA ASP A 70 -17.631 -29.595 2.612 1.00 72.53 C ATOM 1114 C ASP A 70 -17.349 -30.148 4.006 1.00 55.24 C ATOM 1115 O ASP A 70 -17.310 -29.402 4.984 1.00 1.21 O ATOM 1116 CB ASP A 70 -19.098 -29.825 2.246 1.00 55.42 C ATOM 1117 CG ASP A 70 -20.040 -29.475 3.382 1.00 62.14 C ATOM 1118 OD1 ASP A 70 -19.995 -28.321 3.856 1.00 3.42 O ATOM 1119 OD2 ASP A 70 -20.822 -30.356 3.795 1.00 13.34 O ATOM 0 H ASP A 70 -17.251 -30.664 0.848 1.00 12.11 H new ATOM 0 HA ASP A 70 -17.429 -28.524 2.618 1.00 72.53 H new ATOM 0 HB2 ASP A 70 -19.350 -29.225 1.371 1.00 55.42 H new ATOM 0 HB3 ASP A 70 -19.241 -30.869 1.968 1.00 55.42 H new ATOM 1124 N VAL A 71 -17.155 -31.460 4.088 1.00 32.25 N ATOM 1125 CA VAL A 71 -16.877 -32.113 5.362 1.00 12.12 C ATOM 1126 C VAL A 71 -15.503 -31.719 5.893 1.00 33.40 C ATOM 1127 O VAL A 71 -15.311 -31.576 7.100 1.00 24.40 O ATOM 1128 CB VAL A 71 -16.946 -33.646 5.234 1.00 60.31 C ATOM 1129 CG1 VAL A 71 -16.569 -34.310 6.550 1.00 45.25 C ATOM 1130 CG2 VAL A 71 -18.333 -34.081 4.787 1.00 73.44 C ATOM 0 H VAL A 71 -17.185 -32.092 3.288 1.00 32.25 H new ATOM 0 HA VAL A 71 -17.643 -31.780 6.062 1.00 12.12 H new ATOM 0 HB VAL A 71 -16.229 -33.962 4.477 1.00 60.31 H new ATOM 0 HG11 VAL A 71 -16.624 -35.393 6.440 1.00 45.25 H new ATOM 0 HG12 VAL A 71 -15.554 -34.024 6.824 1.00 45.25 H new ATOM 0 HG13 VAL A 71 -17.259 -33.989 7.330 1.00 45.25 H new ATOM 0 HG21 VAL A 71 -18.364 -35.167 4.702 1.00 73.44 H new ATOM 0 HG22 VAL A 71 -19.071 -33.753 5.520 1.00 73.44 H new ATOM 0 HG23 VAL A 71 -18.560 -33.634 3.819 1.00 73.44 H new ATOM 1140 N ALA A 72 -14.551 -31.545 4.983 1.00 61.34 N ATOM 1141 CA ALA A 72 -13.195 -31.166 5.359 1.00 42.43 C ATOM 1142 C ALA A 72 -13.175 -29.800 6.037 1.00 33.12 C ATOM 1143 O ALA A 72 -12.386 -29.561 6.951 1.00 33.15 O ATOM 1144 CB ALA A 72 -12.289 -31.163 4.136 1.00 13.30 C ATOM 0 H ALA A 72 -14.694 -31.661 3.980 1.00 61.34 H new ATOM 0 HA ALA A 72 -12.823 -31.902 6.072 1.00 42.43 H new ATOM 0 HB1 ALA A 72 -11.279 -30.878 4.432 1.00 13.30 H new ATOM 0 HB2 ALA A 72 -12.270 -32.159 3.695 1.00 13.30 H new ATOM 0 HB3 ALA A 72 -12.668 -30.449 3.404 1.00 13.30 H new ATOM 1150 N VAL A 73 -14.048 -28.906 5.583 1.00 32.21 N ATOM 1151 CA VAL A 73 -14.131 -27.564 6.147 1.00 73.12 C ATOM 1152 C VAL A 73 -14.886 -27.570 7.471 1.00 32.13 C ATOM 1153 O VAL A 73 -14.554 -26.822 8.390 1.00 4.43 O ATOM 1154 CB VAL A 73 -14.826 -26.590 5.177 1.00 71.12 C ATOM 1155 CG1 VAL A 73 -14.700 -25.159 5.676 1.00 44.35 C ATOM 1156 CG2 VAL A 73 -14.247 -26.729 3.777 1.00 2.11 C ATOM 0 H VAL A 73 -14.708 -29.087 4.826 1.00 32.21 H new ATOM 0 HA VAL A 73 -13.108 -27.228 6.317 1.00 73.12 H new ATOM 0 HB VAL A 73 -15.886 -26.842 5.133 1.00 71.12 H new ATOM 0 HG11 VAL A 73 -15.197 -24.485 4.978 1.00 44.35 H new ATOM 0 HG12 VAL A 73 -15.167 -25.073 6.657 1.00 44.35 H new ATOM 0 HG13 VAL A 73 -13.646 -24.891 5.751 1.00 44.35 H new ATOM 0 HG21 VAL A 73 -14.750 -26.034 3.105 1.00 2.11 H new ATOM 0 HG22 VAL A 73 -13.181 -26.505 3.800 1.00 2.11 H new ATOM 0 HG23 VAL A 73 -14.395 -27.749 3.421 1.00 2.11 H new ATOM 1166 N ARG A 74 -15.904 -28.420 7.562 1.00 22.02 N ATOM 1167 CA ARG A 74 -16.707 -28.523 8.774 1.00 31.25 C ATOM 1168 C ARG A 74 -15.940 -29.252 9.874 1.00 34.22 C ATOM 1169 O ARG A 74 -16.096 -28.951 11.058 1.00 55.14 O ATOM 1170 CB ARG A 74 -18.019 -29.254 8.482 1.00 23.10 C ATOM 1171 CG ARG A 74 -19.035 -28.406 7.734 1.00 22.32 C ATOM 1172 CD ARG A 74 -19.901 -27.602 8.691 1.00 72.31 C ATOM 1173 NE ARG A 74 -20.973 -28.409 9.268 1.00 53.11 N ATOM 1174 CZ ARG A 74 -21.877 -27.932 10.117 1.00 43.42 C ATOM 1175 NH1 ARG A 74 -21.838 -26.658 10.485 1.00 24.51 N ATOM 1176 NH2 ARG A 74 -22.822 -28.728 10.599 1.00 71.23 N ATOM 0 H ARG A 74 -16.192 -29.047 6.811 1.00 22.02 H new ATOM 0 HA ARG A 74 -16.931 -27.513 9.118 1.00 31.25 H new ATOM 0 HB2 ARG A 74 -17.804 -30.149 7.898 1.00 23.10 H new ATOM 0 HB3 ARG A 74 -18.458 -29.586 9.423 1.00 23.10 H new ATOM 0 HG2 ARG A 74 -18.516 -27.729 7.055 1.00 22.32 H new ATOM 0 HG3 ARG A 74 -19.667 -29.049 7.122 1.00 22.32 H new ATOM 0 HD2 ARG A 74 -19.280 -27.199 9.491 1.00 72.31 H new ATOM 0 HD3 ARG A 74 -20.332 -26.751 8.163 1.00 72.31 H new ATOM 0 HE ARG A 74 -21.031 -29.393 9.005 1.00 53.11 H new ATOM 0 HH11 ARG A 74 -21.113 -26.043 10.116 1.00 24.51 H new ATOM 0 HH12 ARG A 74 -22.533 -26.294 11.137 1.00 24.51 H new ATOM 0 HH21 ARG A 74 -22.856 -29.708 10.318 1.00 71.23 H new ATOM 0 HH22 ARG A 74 -23.515 -28.360 11.251 1.00 71.23 H new ATOM 1190 N ARG A 75 -15.113 -30.212 9.475 1.00 62.33 N ATOM 1191 CA ARG A 75 -14.324 -30.985 10.426 1.00 25.21 C ATOM 1192 C ARG A 75 -13.134 -30.174 10.931 1.00 22.11 C ATOM 1193 O ARG A 75 -12.789 -30.227 12.113 1.00 55.34 O ATOM 1194 CB ARG A 75 -13.833 -32.282 9.779 1.00 2.15 C ATOM 1195 CG ARG A 75 -12.775 -32.067 8.710 1.00 44.41 C ATOM 1196 CD ARG A 75 -12.341 -33.382 8.083 1.00 62.24 C ATOM 1197 NE ARG A 75 -11.970 -34.373 9.090 1.00 51.23 N ATOM 1198 CZ ARG A 75 -10.868 -34.295 9.826 1.00 5.24 C ATOM 1199 NH1 ARG A 75 -10.032 -33.277 9.669 1.00 31.35 N ATOM 1200 NH2 ARG A 75 -10.599 -35.236 10.723 1.00 51.43 N ATOM 0 H ARG A 75 -14.972 -30.473 8.499 1.00 62.33 H new ATOM 0 HA ARG A 75 -14.962 -31.229 11.275 1.00 25.21 H new ATOM 0 HB2 ARG A 75 -13.428 -32.933 10.553 1.00 2.15 H new ATOM 0 HB3 ARG A 75 -14.683 -32.802 9.337 1.00 2.15 H new ATOM 0 HG2 ARG A 75 -13.167 -31.406 7.937 1.00 44.41 H new ATOM 0 HG3 ARG A 75 -11.910 -31.568 9.148 1.00 44.41 H new ATOM 0 HD2 ARG A 75 -13.151 -33.775 7.469 1.00 62.24 H new ATOM 0 HD3 ARG A 75 -11.495 -33.205 7.419 1.00 62.24 H new ATOM 0 HE ARG A 75 -12.592 -35.168 9.236 1.00 51.23 H new ATOM 0 HH11 ARG A 75 -10.235 -32.552 8.981 1.00 31.35 H new ATOM 0 HH12 ARG A 75 -9.186 -33.220 10.236 1.00 31.35 H new ATOM 0 HH21 ARG A 75 -11.239 -36.020 10.847 1.00 51.43 H new ATOM 0 HH22 ARG A 75 -9.752 -35.175 11.288 1.00 51.43 H new ATOM 1214 N LEU A 76 -12.509 -29.425 10.029 1.00 74.20 N ATOM 1215 CA LEU A 76 -11.357 -28.603 10.382 1.00 14.13 C ATOM 1216 C LEU A 76 -11.788 -27.378 11.182 1.00 1.35 C ATOM 1217 O LEU A 76 -11.112 -26.973 12.128 1.00 1.05 O ATOM 1218 CB LEU A 76 -10.612 -28.166 9.120 1.00 4.23 C ATOM 1219 CG LEU A 76 -11.096 -26.870 8.469 1.00 14.01 C ATOM 1220 CD1 LEU A 76 -10.519 -25.662 9.190 1.00 42.21 C ATOM 1221 CD2 LEU A 76 -10.723 -26.842 6.994 1.00 30.22 C ATOM 0 H LEU A 76 -12.781 -29.370 9.047 1.00 74.20 H new ATOM 0 HA LEU A 76 -10.689 -29.202 11.001 1.00 14.13 H new ATOM 0 HB2 LEU A 76 -9.556 -28.053 9.366 1.00 4.23 H new ATOM 0 HB3 LEU A 76 -10.684 -28.967 8.384 1.00 4.23 H new ATOM 0 HG LEU A 76 -12.182 -26.830 8.549 1.00 14.01 H new ATOM 0 HD11 LEU A 76 -10.875 -24.749 8.712 1.00 42.21 H new ATOM 0 HD12 LEU A 76 -10.838 -25.674 10.232 1.00 42.21 H new ATOM 0 HD13 LEU A 76 -9.431 -25.696 9.143 1.00 42.21 H new ATOM 0 HD21 LEU A 76 -11.075 -25.912 6.547 1.00 30.22 H new ATOM 0 HD22 LEU A 76 -9.640 -26.906 6.891 1.00 30.22 H new ATOM 0 HD23 LEU A 76 -11.186 -27.687 6.485 1.00 30.22 H new ATOM 1233 N ARG A 77 -12.918 -26.793 10.798 1.00 44.04 N ATOM 1234 CA ARG A 77 -13.439 -25.615 11.480 1.00 41.32 C ATOM 1235 C ARG A 77 -13.966 -25.977 12.865 1.00 23.12 C ATOM 1236 O ARG A 77 -13.886 -25.179 13.799 1.00 22.10 O ATOM 1237 CB ARG A 77 -14.552 -24.970 10.652 1.00 71.55 C ATOM 1238 CG ARG A 77 -15.872 -25.722 10.715 1.00 24.33 C ATOM 1239 CD ARG A 77 -16.764 -25.189 11.825 1.00 3.32 C ATOM 1240 NE ARG A 77 -17.592 -26.238 12.414 1.00 41.32 N ATOM 1241 CZ ARG A 77 -18.430 -26.032 13.424 1.00 71.43 C ATOM 1242 NH1 ARG A 77 -18.551 -24.823 13.954 1.00 22.31 N ATOM 1243 NH2 ARG A 77 -19.150 -27.038 13.905 1.00 52.13 N ATOM 0 H ARG A 77 -13.490 -27.116 10.018 1.00 44.04 H new ATOM 0 HA ARG A 77 -12.622 -24.903 11.596 1.00 41.32 H new ATOM 0 HB2 ARG A 77 -14.708 -23.949 11.001 1.00 71.55 H new ATOM 0 HB3 ARG A 77 -14.229 -24.906 9.613 1.00 71.55 H new ATOM 0 HG2 ARG A 77 -16.388 -25.635 9.759 1.00 24.33 H new ATOM 0 HG3 ARG A 77 -15.680 -26.783 10.878 1.00 24.33 H new ATOM 0 HD2 ARG A 77 -16.146 -24.737 12.601 1.00 3.32 H new ATOM 0 HD3 ARG A 77 -17.405 -24.401 11.428 1.00 3.32 H new ATOM 0 HE ARG A 77 -17.523 -27.180 12.029 1.00 41.32 H new ATOM 0 HH11 ARG A 77 -18.000 -24.047 13.586 1.00 22.31 H new ATOM 0 HH12 ARG A 77 -19.195 -24.668 14.729 1.00 22.31 H new ATOM 0 HH21 ARG A 77 -19.060 -27.969 13.499 1.00 52.13 H new ATOM 0 HH22 ARG A 77 -19.793 -26.880 14.681 1.00 52.13 H new ATOM 1257 N SER A 78 -14.505 -27.186 12.990 1.00 3.32 N ATOM 1258 CA SER A 78 -15.049 -27.652 14.260 1.00 22.50 C ATOM 1259 C SER A 78 -13.939 -28.172 15.169 1.00 44.34 C ATOM 1260 O SER A 78 -14.197 -28.655 16.271 1.00 11.33 O ATOM 1261 CB SER A 78 -16.085 -28.753 14.022 1.00 43.34 C ATOM 1262 OG SER A 78 -16.505 -29.331 15.245 1.00 31.11 O ATOM 0 H SER A 78 -14.576 -27.860 12.228 1.00 3.32 H new ATOM 0 HA SER A 78 -15.532 -26.807 14.751 1.00 22.50 H new ATOM 0 HB2 SER A 78 -16.946 -28.339 13.497 1.00 43.34 H new ATOM 0 HB3 SER A 78 -15.660 -29.524 13.379 1.00 43.34 H new ATOM 0 HG SER A 78 -15.766 -29.309 15.888 1.00 31.11 H new ATOM 1268 N LYS A 79 -12.701 -28.069 14.697 1.00 5.35 N ATOM 1269 CA LYS A 79 -11.549 -28.526 15.466 1.00 44.14 C ATOM 1270 C LYS A 79 -10.951 -27.384 16.282 1.00 70.13 C ATOM 1271 O LYS A 79 -10.640 -27.549 17.462 1.00 64.24 O ATOM 1272 CB LYS A 79 -10.486 -29.110 14.532 1.00 51.23 C ATOM 1273 CG LYS A 79 -10.528 -30.625 14.435 1.00 22.00 C ATOM 1274 CD LYS A 79 -9.822 -31.278 15.611 1.00 25.51 C ATOM 1275 CE LYS A 79 -10.108 -32.771 15.674 1.00 11.10 C ATOM 1276 NZ LYS A 79 -9.383 -33.520 14.611 1.00 23.31 N ATOM 0 H LYS A 79 -12.470 -27.673 13.786 1.00 5.35 H new ATOM 0 HA LYS A 79 -11.887 -29.302 16.153 1.00 44.14 H new ATOM 0 HB2 LYS A 79 -10.617 -28.687 13.536 1.00 51.23 H new ATOM 0 HB3 LYS A 79 -9.500 -28.804 14.881 1.00 51.23 H new ATOM 0 HG2 LYS A 79 -11.565 -30.960 14.400 1.00 22.00 H new ATOM 0 HG3 LYS A 79 -10.059 -30.944 13.505 1.00 22.00 H new ATOM 0 HD2 LYS A 79 -8.747 -31.116 15.527 1.00 25.51 H new ATOM 0 HD3 LYS A 79 -10.145 -30.805 16.539 1.00 25.51 H new ATOM 0 HE2 LYS A 79 -9.817 -33.155 16.652 1.00 11.10 H new ATOM 0 HE3 LYS A 79 -11.180 -32.940 15.571 1.00 11.10 H new ATOM 0 HZ1 LYS A 79 -9.604 -34.533 14.688 1.00 23.31 H new ATOM 0 HZ2 LYS A 79 -9.679 -33.171 13.677 1.00 23.31 H new ATOM 0 HZ3 LYS A 79 -8.359 -33.380 14.724 1.00 23.31 H new ATOM 1290 N ILE A 80 -10.795 -26.227 15.647 1.00 73.42 N ATOM 1291 CA ILE A 80 -10.238 -25.058 16.316 1.00 63.54 C ATOM 1292 C ILE A 80 -11.124 -23.834 16.113 1.00 33.43 C ATOM 1293 O ILE A 80 -11.363 -23.067 17.046 1.00 20.10 O ATOM 1294 CB ILE A 80 -8.820 -24.741 15.806 1.00 65.23 C ATOM 1295 CG1 ILE A 80 -8.302 -23.450 16.443 1.00 24.33 C ATOM 1296 CG2 ILE A 80 -8.815 -24.628 14.289 1.00 52.25 C ATOM 1297 CD1 ILE A 80 -8.271 -23.493 17.955 1.00 25.30 C ATOM 0 H ILE A 80 -11.047 -26.074 14.670 1.00 73.42 H new ATOM 0 HA ILE A 80 -10.189 -25.296 17.379 1.00 63.54 H new ATOM 0 HB ILE A 80 -8.157 -25.557 16.092 1.00 65.23 H new ATOM 0 HG12 ILE A 80 -7.297 -23.249 16.073 1.00 24.33 H new ATOM 0 HG13 ILE A 80 -8.931 -22.619 16.124 1.00 24.33 H new ATOM 0 HG21 ILE A 80 -7.806 -24.404 13.944 1.00 52.25 H new ATOM 0 HG22 ILE A 80 -9.146 -25.570 13.853 1.00 52.25 H new ATOM 0 HG23 ILE A 80 -9.489 -23.829 13.981 1.00 52.25 H new ATOM 0 HD11 ILE A 80 -7.893 -22.545 18.338 1.00 25.30 H new ATOM 0 HD12 ILE A 80 -9.279 -23.662 18.335 1.00 25.30 H new ATOM 0 HD13 ILE A 80 -7.619 -24.303 18.283 1.00 25.30 H new ATOM 1309 N ASP A 81 -11.611 -23.659 14.890 1.00 62.03 N ATOM 1310 CA ASP A 81 -12.474 -22.530 14.565 1.00 52.42 C ATOM 1311 C ASP A 81 -13.704 -22.509 15.467 1.00 53.31 C ATOM 1312 O ASP A 81 -14.347 -21.472 15.633 1.00 50.11 O ATOM 1313 CB ASP A 81 -12.903 -22.593 13.098 1.00 31.41 C ATOM 1314 CG ASP A 81 -12.930 -21.227 12.443 1.00 42.43 C ATOM 1315 OD1 ASP A 81 -13.956 -20.526 12.572 1.00 71.45 O ATOM 1316 OD2 ASP A 81 -11.924 -20.857 11.802 1.00 52.42 O ATOM 0 H ASP A 81 -11.423 -24.285 14.107 1.00 62.03 H new ATOM 0 HA ASP A 81 -11.908 -21.613 14.730 1.00 52.42 H new ATOM 0 HB2 ASP A 81 -12.219 -23.242 12.550 1.00 31.41 H new ATOM 0 HB3 ASP A 81 -13.893 -23.044 13.031 1.00 31.41 H new ATOM 1321 N ASP A 82 -14.026 -23.660 16.046 1.00 73.11 N ATOM 1322 CA ASP A 82 -15.180 -23.774 16.931 1.00 25.42 C ATOM 1323 C ASP A 82 -14.982 -22.939 18.192 1.00 4.30 C ATOM 1324 O ASP A 82 -15.948 -22.541 18.843 1.00 41.10 O ATOM 1325 CB ASP A 82 -15.418 -25.238 17.307 1.00 51.24 C ATOM 1326 CG ASP A 82 -16.880 -25.535 17.578 1.00 63.11 C ATOM 1327 OD1 ASP A 82 -17.683 -24.579 17.616 1.00 61.24 O ATOM 1328 OD2 ASP A 82 -17.221 -26.724 17.752 1.00 43.45 O ATOM 0 H ASP A 82 -13.505 -24.527 15.919 1.00 73.11 H new ATOM 0 HA ASP A 82 -16.053 -23.396 16.400 1.00 25.42 H new ATOM 0 HB2 ASP A 82 -15.063 -25.880 16.501 1.00 51.24 H new ATOM 0 HB3 ASP A 82 -14.830 -25.483 18.192 1.00 51.24 H new ATOM 1333 N ASP A 83 -13.724 -22.677 18.531 1.00 71.41 N ATOM 1334 CA ASP A 83 -13.399 -21.889 19.714 1.00 70.01 C ATOM 1335 C ASP A 83 -12.317 -20.860 19.401 1.00 72.02 C ATOM 1336 O ASP A 83 -11.598 -20.409 20.293 1.00 70.04 O ATOM 1337 CB ASP A 83 -12.938 -22.802 20.851 1.00 61.42 C ATOM 1338 CG ASP A 83 -12.971 -22.110 22.199 1.00 24.01 C ATOM 1339 OD1 ASP A 83 -13.324 -20.913 22.243 1.00 0.24 O ATOM 1340 OD2 ASP A 83 -12.644 -22.766 23.210 1.00 4.42 O ATOM 0 H ASP A 83 -12.913 -22.999 18.003 1.00 71.41 H new ATOM 0 HA ASP A 83 -14.299 -21.360 20.026 1.00 70.01 H new ATOM 0 HB2 ASP A 83 -13.575 -23.686 20.884 1.00 61.42 H new ATOM 0 HB3 ASP A 83 -11.924 -23.147 20.648 1.00 61.42 H new ATOM 1345 N PHE A 84 -12.207 -20.494 18.128 1.00 1.32 N ATOM 1346 CA PHE A 84 -11.211 -19.519 17.697 1.00 73.43 C ATOM 1347 C PHE A 84 -11.875 -18.338 16.995 1.00 1.01 C ATOM 1348 O PHE A 84 -11.922 -17.232 17.532 1.00 52.33 O ATOM 1349 CB PHE A 84 -10.195 -20.177 16.761 1.00 21.32 C ATOM 1350 CG PHE A 84 -9.460 -19.198 15.891 1.00 61.41 C ATOM 1351 CD1 PHE A 84 -8.884 -18.063 16.437 1.00 43.33 C ATOM 1352 CD2 PHE A 84 -9.345 -19.414 14.527 1.00 23.21 C ATOM 1353 CE1 PHE A 84 -8.208 -17.160 15.638 1.00 65.01 C ATOM 1354 CE2 PHE A 84 -8.669 -18.515 13.723 1.00 33.23 C ATOM 1355 CZ PHE A 84 -8.099 -17.387 14.280 1.00 71.12 C ATOM 0 H PHE A 84 -12.794 -20.857 17.377 1.00 1.32 H new ATOM 0 HA PHE A 84 -10.694 -19.149 18.582 1.00 73.43 H new ATOM 0 HB2 PHE A 84 -9.473 -20.735 17.357 1.00 21.32 H new ATOM 0 HB3 PHE A 84 -10.711 -20.898 16.127 1.00 21.32 H new ATOM 0 HD1 PHE A 84 -8.964 -17.881 17.499 1.00 43.33 H new ATOM 0 HD2 PHE A 84 -9.789 -20.295 14.087 1.00 23.21 H new ATOM 0 HE1 PHE A 84 -7.765 -16.277 16.075 1.00 65.01 H new ATOM 0 HE2 PHE A 84 -8.587 -18.695 12.661 1.00 33.23 H new ATOM 0 HZ PHE A 84 -7.569 -16.684 13.655 1.00 71.12 H new ATOM 1365 N GLU A 85 -12.385 -18.582 15.792 1.00 32.31 N ATOM 1366 CA GLU A 85 -13.045 -17.538 15.016 1.00 24.44 C ATOM 1367 C GLU A 85 -14.488 -17.923 14.703 1.00 2.11 C ATOM 1368 O GLU A 85 -14.874 -19.090 14.767 1.00 65.45 O ATOM 1369 CB GLU A 85 -12.281 -17.279 13.716 1.00 3.44 C ATOM 1370 CG GLU A 85 -11.271 -16.148 13.819 1.00 24.25 C ATOM 1371 CD GLU A 85 -10.490 -15.944 12.535 1.00 33.24 C ATOM 1372 OE1 GLU A 85 -10.479 -16.869 11.696 1.00 43.22 O ATOM 1373 OE2 GLU A 85 -9.891 -14.861 12.370 1.00 34.11 O ATOM 0 H GLU A 85 -12.354 -19.493 15.334 1.00 32.31 H new ATOM 0 HA GLU A 85 -13.052 -16.626 15.613 1.00 24.44 H new ATOM 0 HB2 GLU A 85 -11.763 -18.192 13.421 1.00 3.44 H new ATOM 0 HB3 GLU A 85 -12.994 -17.047 12.925 1.00 3.44 H new ATOM 0 HG2 GLU A 85 -11.790 -15.224 14.075 1.00 24.25 H new ATOM 0 HG3 GLU A 85 -10.577 -16.359 14.632 1.00 24.25 H new ATOM 1380 N PRO A 86 -15.306 -16.918 14.357 1.00 44.30 N ATOM 1381 CA PRO A 86 -16.719 -17.125 14.027 1.00 42.11 C ATOM 1382 C PRO A 86 -16.903 -17.861 12.704 1.00 12.30 C ATOM 1383 O PRO A 86 -15.932 -18.182 12.019 1.00 3.52 O ATOM 1384 CB PRO A 86 -17.272 -15.701 13.929 1.00 75.24 C ATOM 1385 CG PRO A 86 -16.093 -14.859 13.584 1.00 1.14 C ATOM 1386 CD PRO A 86 -14.914 -15.502 14.261 1.00 44.42 C ATOM 0 HA PRO A 86 -17.225 -17.743 14.768 1.00 42.11 H new ATOM 0 HB2 PRO A 86 -18.047 -15.629 13.166 1.00 75.24 H new ATOM 0 HB3 PRO A 86 -17.722 -15.385 14.870 1.00 75.24 H new ATOM 0 HG2 PRO A 86 -15.947 -14.815 12.505 1.00 1.14 H new ATOM 0 HG3 PRO A 86 -16.231 -13.834 13.929 1.00 1.14 H new ATOM 0 HD2 PRO A 86 -14.000 -15.377 13.681 1.00 44.42 H new ATOM 0 HD3 PRO A 86 -14.730 -15.069 15.244 1.00 44.42 H new ATOM 1394 N LYS A 87 -18.156 -18.125 12.349 1.00 30.22 N ATOM 1395 CA LYS A 87 -18.469 -18.822 11.107 1.00 11.21 C ATOM 1396 C LYS A 87 -17.995 -18.020 9.899 1.00 24.23 C ATOM 1397 O LYS A 87 -18.705 -17.144 9.405 1.00 73.14 O ATOM 1398 CB LYS A 87 -19.975 -19.074 11.005 1.00 12.05 C ATOM 1399 CG LYS A 87 -20.818 -17.836 11.259 1.00 3.12 C ATOM 1400 CD LYS A 87 -21.971 -17.735 10.275 1.00 44.34 C ATOM 1401 CE LYS A 87 -23.222 -18.414 10.810 1.00 40.31 C ATOM 1402 NZ LYS A 87 -23.251 -19.865 10.478 1.00 65.10 N ATOM 0 H LYS A 87 -18.972 -17.867 12.904 1.00 30.22 H new ATOM 0 HA LYS A 87 -17.946 -19.778 11.115 1.00 11.21 H new ATOM 0 HB2 LYS A 87 -20.204 -19.461 10.012 1.00 12.05 H new ATOM 0 HB3 LYS A 87 -20.255 -19.847 11.721 1.00 12.05 H new ATOM 0 HG2 LYS A 87 -21.208 -17.863 12.276 1.00 3.12 H new ATOM 0 HG3 LYS A 87 -20.193 -16.947 11.181 1.00 3.12 H new ATOM 0 HD2 LYS A 87 -22.185 -16.686 10.070 1.00 44.34 H new ATOM 0 HD3 LYS A 87 -21.684 -18.193 9.328 1.00 44.34 H new ATOM 0 HE2 LYS A 87 -23.269 -18.288 11.892 1.00 40.31 H new ATOM 0 HE3 LYS A 87 -24.105 -17.929 10.394 1.00 40.31 H new ATOM 0 HZ1 LYS A 87 -24.119 -20.291 10.860 1.00 65.10 H new ATOM 0 HZ2 LYS A 87 -23.232 -19.985 9.445 1.00 65.10 H new ATOM 0 HZ3 LYS A 87 -22.422 -20.334 10.897 1.00 65.10 H new ATOM 1416 N LEU A 88 -16.791 -18.326 9.428 1.00 22.00 N ATOM 1417 CA LEU A 88 -16.222 -17.635 8.276 1.00 2.12 C ATOM 1418 C LEU A 88 -16.503 -18.402 6.988 1.00 44.52 C ATOM 1419 O LEU A 88 -16.153 -17.950 5.897 1.00 54.13 O ATOM 1420 CB LEU A 88 -14.714 -17.456 8.458 1.00 4.41 C ATOM 1421 CG LEU A 88 -14.273 -16.726 9.728 1.00 63.14 C ATOM 1422 CD1 LEU A 88 -12.830 -16.263 9.603 1.00 4.30 C ATOM 1423 CD2 LEU A 88 -15.191 -15.546 10.011 1.00 31.30 C ATOM 0 H LEU A 88 -16.190 -19.048 9.826 1.00 22.00 H new ATOM 0 HA LEU A 88 -16.692 -16.654 8.203 1.00 2.12 H new ATOM 0 HB2 LEU A 88 -14.248 -18.441 8.449 1.00 4.41 H new ATOM 0 HB3 LEU A 88 -14.326 -16.912 7.597 1.00 4.41 H new ATOM 0 HG LEU A 88 -14.339 -17.421 10.565 1.00 63.14 H new ATOM 0 HD11 LEU A 88 -12.533 -15.746 10.516 1.00 4.30 H new ATOM 0 HD12 LEU A 88 -12.183 -17.126 9.449 1.00 4.30 H new ATOM 0 HD13 LEU A 88 -12.738 -15.584 8.755 1.00 4.30 H new ATOM 0 HD21 LEU A 88 -14.862 -15.039 10.918 1.00 31.30 H new ATOM 0 HD22 LEU A 88 -15.157 -14.850 9.173 1.00 31.30 H new ATOM 0 HD23 LEU A 88 -16.212 -15.903 10.145 1.00 31.30 H new ATOM 1435 N ILE A 89 -17.137 -19.561 7.122 1.00 63.41 N ATOM 1436 CA ILE A 89 -17.467 -20.389 5.968 1.00 12.41 C ATOM 1437 C ILE A 89 -18.727 -19.884 5.272 1.00 4.53 C ATOM 1438 O ILE A 89 -19.841 -20.272 5.624 1.00 52.42 O ATOM 1439 CB ILE A 89 -17.672 -21.861 6.371 1.00 12.21 C ATOM 1440 CG1 ILE A 89 -16.412 -22.409 7.043 1.00 5.30 C ATOM 1441 CG2 ILE A 89 -18.036 -22.697 5.154 1.00 74.43 C ATOM 1442 CD1 ILE A 89 -16.634 -23.716 7.770 1.00 61.51 C ATOM 0 H ILE A 89 -17.433 -19.949 8.018 1.00 63.41 H new ATOM 0 HA ILE A 89 -16.623 -20.323 5.281 1.00 12.41 H new ATOM 0 HB ILE A 89 -18.494 -21.916 7.084 1.00 12.21 H new ATOM 0 HG12 ILE A 89 -15.639 -22.550 6.287 1.00 5.30 H new ATOM 0 HG13 ILE A 89 -16.036 -21.669 7.750 1.00 5.30 H new ATOM 0 HG21 ILE A 89 -18.178 -23.735 5.455 1.00 74.43 H new ATOM 0 HG22 ILE A 89 -18.958 -22.317 4.715 1.00 74.43 H new ATOM 0 HG23 ILE A 89 -17.233 -22.639 4.419 1.00 74.43 H new ATOM 0 HD11 ILE A 89 -15.698 -24.045 8.222 1.00 61.51 H new ATOM 0 HD12 ILE A 89 -17.384 -23.576 8.549 1.00 61.51 H new ATOM 0 HD13 ILE A 89 -16.981 -24.471 7.064 1.00 61.51 H new ATOM 1454 N HIS A 90 -18.542 -19.017 4.282 1.00 44.33 N ATOM 1455 CA HIS A 90 -19.663 -18.460 3.534 1.00 52.23 C ATOM 1456 C HIS A 90 -19.767 -19.100 2.153 1.00 62.13 C ATOM 1457 O HIS A 90 -18.797 -19.127 1.394 1.00 10.51 O ATOM 1458 CB HIS A 90 -19.510 -16.945 3.396 1.00 2.20 C ATOM 1459 CG HIS A 90 -19.862 -16.191 4.642 1.00 62.43 C ATOM 1460 ND1 HIS A 90 -18.916 -15.699 5.516 1.00 31.43 N ATOM 1461 CD2 HIS A 90 -21.065 -15.845 5.157 1.00 63.23 C ATOM 1462 CE1 HIS A 90 -19.522 -15.085 6.516 1.00 10.43 C ATOM 1463 NE2 HIS A 90 -20.826 -15.158 6.322 1.00 74.43 N ATOM 0 H HIS A 90 -17.626 -18.685 3.979 1.00 44.33 H new ATOM 0 HA HIS A 90 -20.578 -18.676 4.085 1.00 52.23 H new ATOM 0 HB2 HIS A 90 -18.480 -16.716 3.121 1.00 2.20 H new ATOM 0 HB3 HIS A 90 -20.143 -16.597 2.580 1.00 2.20 H new ATOM 0 HD2 HIS A 90 -22.032 -16.068 4.731 1.00 63.23 H new ATOM 0 HE1 HIS A 90 -19.034 -14.605 7.351 1.00 10.43 H new ATOM 0 HE2 HIS A 90 -21.540 -14.768 6.937 1.00 74.43 H new ATOM 1471 N THR A 91 -20.949 -19.617 1.832 1.00 12.33 N ATOM 1472 CA THR A 91 -21.179 -20.259 0.544 1.00 0.42 C ATOM 1473 C THR A 91 -22.396 -19.666 -0.156 1.00 55.10 C ATOM 1474 O THR A 91 -23.516 -19.747 0.349 1.00 12.52 O ATOM 1475 CB THR A 91 -21.380 -21.778 0.701 1.00 13.44 C ATOM 1476 OG1 THR A 91 -20.191 -22.377 1.228 1.00 73.42 O ATOM 1477 CG2 THR A 91 -21.729 -22.418 -0.633 1.00 73.25 C ATOM 0 H THR A 91 -21.762 -19.603 2.447 1.00 12.33 H new ATOM 0 HA THR A 91 -20.291 -20.079 -0.062 1.00 0.42 H new ATOM 0 HB THR A 91 -22.206 -21.944 1.392 1.00 13.44 H new ATOM 0 HG1 THR A 91 -20.113 -23.296 0.896 1.00 73.42 H new ATOM 0 HG21 THR A 91 -21.866 -23.491 -0.497 1.00 73.25 H new ATOM 0 HG22 THR A 91 -22.650 -21.980 -1.017 1.00 73.25 H new ATOM 0 HG23 THR A 91 -20.921 -22.243 -1.343 1.00 73.25 H new ATOM 1485 N VAL A 92 -22.171 -19.071 -1.323 1.00 2.41 N ATOM 1486 CA VAL A 92 -23.250 -18.466 -2.094 1.00 13.41 C ATOM 1487 C VAL A 92 -23.969 -19.507 -2.944 1.00 34.33 C ATOM 1488 O VAL A 92 -23.375 -20.115 -3.834 1.00 43.31 O ATOM 1489 CB VAL A 92 -22.725 -17.345 -3.011 1.00 15.33 C ATOM 1490 CG1 VAL A 92 -23.878 -16.657 -3.727 1.00 2.12 C ATOM 1491 CG2 VAL A 92 -21.909 -16.341 -2.211 1.00 20.14 C ATOM 0 H VAL A 92 -21.250 -18.995 -1.755 1.00 2.41 H new ATOM 0 HA VAL A 92 -23.951 -18.040 -1.376 1.00 13.41 H new ATOM 0 HB VAL A 92 -22.075 -17.790 -3.764 1.00 15.33 H new ATOM 0 HG11 VAL A 92 -23.488 -15.868 -4.370 1.00 2.12 H new ATOM 0 HG12 VAL A 92 -24.417 -17.386 -4.333 1.00 2.12 H new ATOM 0 HG13 VAL A 92 -24.556 -16.224 -2.992 1.00 2.12 H new ATOM 0 HG21 VAL A 92 -21.546 -15.556 -2.875 1.00 20.14 H new ATOM 0 HG22 VAL A 92 -22.534 -15.900 -1.435 1.00 20.14 H new ATOM 0 HG23 VAL A 92 -21.061 -16.847 -1.749 1.00 20.14 H new ATOM 1501 N ARG A 93 -25.253 -19.708 -2.663 1.00 22.42 N ATOM 1502 CA ARG A 93 -26.054 -20.678 -3.401 1.00 44.50 C ATOM 1503 C ARG A 93 -26.029 -20.376 -4.897 1.00 30.43 C ATOM 1504 O ARG A 93 -26.747 -19.499 -5.376 1.00 24.34 O ATOM 1505 CB ARG A 93 -27.496 -20.672 -2.892 1.00 54.25 C ATOM 1506 CG ARG A 93 -28.331 -21.830 -3.414 1.00 63.14 C ATOM 1507 CD ARG A 93 -29.591 -22.026 -2.587 1.00 33.13 C ATOM 1508 NE ARG A 93 -30.117 -23.383 -2.704 1.00 33.53 N ATOM 1509 CZ ARG A 93 -31.126 -23.846 -1.974 1.00 55.11 C ATOM 1510 NH1 ARG A 93 -31.716 -23.064 -1.080 1.00 44.22 N ATOM 1511 NH2 ARG A 93 -31.549 -25.093 -2.138 1.00 64.14 N ATOM 0 H ARG A 93 -25.760 -19.212 -1.930 1.00 22.42 H new ATOM 0 HA ARG A 93 -25.624 -21.666 -3.240 1.00 44.50 H new ATOM 0 HB2 ARG A 93 -27.488 -20.703 -1.802 1.00 54.25 H new ATOM 0 HB3 ARG A 93 -27.970 -19.734 -3.181 1.00 54.25 H new ATOM 0 HG2 ARG A 93 -28.602 -21.645 -4.453 1.00 63.14 H new ATOM 0 HG3 ARG A 93 -27.738 -22.744 -3.397 1.00 63.14 H new ATOM 0 HD2 ARG A 93 -29.375 -21.810 -1.541 1.00 33.13 H new ATOM 0 HD3 ARG A 93 -30.351 -21.314 -2.909 1.00 33.13 H new ATOM 0 HE ARG A 93 -29.686 -24.010 -3.383 1.00 33.53 H new ATOM 0 HH11 ARG A 93 -31.395 -22.104 -0.951 1.00 44.22 H new ATOM 0 HH12 ARG A 93 -32.490 -23.422 -0.521 1.00 44.22 H new ATOM 0 HH21 ARG A 93 -31.099 -25.698 -2.825 1.00 64.14 H new ATOM 0 HH22 ARG A 93 -32.324 -25.447 -1.577 1.00 64.14 H new ATOM 1525 N GLY A 94 -25.197 -21.110 -5.630 1.00 30.44 N ATOM 1526 CA GLY A 94 -25.094 -20.906 -7.063 1.00 22.43 C ATOM 1527 C GLY A 94 -23.769 -20.290 -7.467 1.00 13.24 C ATOM 1528 O GLY A 94 -23.697 -19.539 -8.439 1.00 14.11 O ATOM 0 H GLY A 94 -24.593 -21.842 -5.257 1.00 30.44 H new ATOM 0 HA2 GLY A 94 -25.217 -21.862 -7.573 1.00 22.43 H new ATOM 0 HA3 GLY A 94 -25.907 -20.261 -7.394 1.00 22.43 H new ATOM 1532 N ALA A 95 -22.718 -20.606 -6.717 1.00 72.14 N ATOM 1533 CA ALA A 95 -21.390 -20.078 -7.003 1.00 61.20 C ATOM 1534 C ALA A 95 -20.308 -21.091 -6.645 1.00 62.54 C ATOM 1535 O ALA A 95 -19.728 -21.731 -7.522 1.00 54.02 O ATOM 1536 CB ALA A 95 -21.166 -18.776 -6.249 1.00 11.12 C ATOM 0 H ALA A 95 -22.761 -21.225 -5.907 1.00 72.14 H new ATOM 0 HA ALA A 95 -21.327 -19.881 -8.073 1.00 61.20 H new ATOM 0 HB1 ALA A 95 -20.170 -18.393 -6.472 1.00 11.12 H new ATOM 0 HB2 ALA A 95 -21.913 -18.044 -6.556 1.00 11.12 H new ATOM 0 HB3 ALA A 95 -21.254 -18.956 -5.178 1.00 11.12 H new ATOM 1542 N GLY A 96 -20.040 -21.232 -5.351 1.00 23.23 N ATOM 1543 CA GLY A 96 -19.027 -22.169 -4.900 1.00 42.14 C ATOM 1544 C GLY A 96 -18.772 -22.075 -3.409 1.00 72.01 C ATOM 1545 O GLY A 96 -19.605 -22.490 -2.603 1.00 21.42 O ATOM 0 H GLY A 96 -20.506 -20.714 -4.606 1.00 23.23 H new ATOM 0 HA2 GLY A 96 -19.339 -23.183 -5.149 1.00 42.14 H new ATOM 0 HA3 GLY A 96 -18.097 -21.980 -5.437 1.00 42.14 H new ATOM 1549 N TYR A 97 -17.618 -21.530 -3.041 1.00 14.32 N ATOM 1550 CA TYR A 97 -17.254 -21.387 -1.636 1.00 55.42 C ATOM 1551 C TYR A 97 -16.348 -20.177 -1.429 1.00 15.23 C ATOM 1552 O TYR A 97 -15.491 -19.879 -2.260 1.00 3.30 O ATOM 1553 CB TYR A 97 -16.556 -22.653 -1.137 1.00 41.51 C ATOM 1554 CG TYR A 97 -17.425 -23.513 -0.249 1.00 30.54 C ATOM 1555 CD1 TYR A 97 -18.365 -24.380 -0.793 1.00 22.42 C ATOM 1556 CD2 TYR A 97 -17.307 -23.460 1.135 1.00 54.53 C ATOM 1557 CE1 TYR A 97 -19.162 -25.169 0.015 1.00 3.50 C ATOM 1558 CE2 TYR A 97 -18.099 -24.245 1.950 1.00 1.01 C ATOM 1559 CZ TYR A 97 -19.025 -25.098 1.386 1.00 44.44 C ATOM 1560 OH TYR A 97 -19.816 -25.881 2.195 1.00 41.45 O ATOM 0 H TYR A 97 -16.919 -21.180 -3.696 1.00 14.32 H new ATOM 0 HA TYR A 97 -18.169 -21.235 -1.063 1.00 55.42 H new ATOM 0 HB2 TYR A 97 -16.233 -23.242 -1.995 1.00 41.51 H new ATOM 0 HB3 TYR A 97 -15.658 -22.370 -0.588 1.00 41.51 H new ATOM 0 HD1 TYR A 97 -18.475 -24.438 -1.866 1.00 22.42 H new ATOM 0 HD2 TYR A 97 -16.584 -22.793 1.581 1.00 54.53 H new ATOM 0 HE1 TYR A 97 -19.888 -25.837 -0.424 1.00 3.50 H new ATOM 0 HE2 TYR A 97 -17.994 -24.191 3.024 1.00 1.01 H new ATOM 0 HH TYR A 97 -19.311 -26.671 2.480 1.00 41.45 H new ATOM 1570 N VAL A 98 -16.545 -19.483 -0.312 1.00 52.10 N ATOM 1571 CA VAL A 98 -15.746 -18.306 0.008 1.00 61.23 C ATOM 1572 C VAL A 98 -15.581 -18.147 1.515 1.00 54.41 C ATOM 1573 O VAL A 98 -16.432 -18.580 2.293 1.00 74.01 O ATOM 1574 CB VAL A 98 -16.378 -17.025 -0.567 1.00 55.11 C ATOM 1575 CG1 VAL A 98 -17.719 -16.747 0.096 1.00 72.44 C ATOM 1576 CG2 VAL A 98 -15.436 -15.843 -0.397 1.00 23.20 C ATOM 0 H VAL A 98 -17.251 -19.716 0.386 1.00 52.10 H new ATOM 0 HA VAL A 98 -14.767 -18.455 -0.448 1.00 61.23 H new ATOM 0 HB VAL A 98 -16.550 -17.173 -1.633 1.00 55.11 H new ATOM 0 HG11 VAL A 98 -18.151 -15.838 -0.323 1.00 72.44 H new ATOM 0 HG12 VAL A 98 -18.394 -17.584 -0.082 1.00 72.44 H new ATOM 0 HG13 VAL A 98 -17.575 -16.619 1.169 1.00 72.44 H new ATOM 0 HG21 VAL A 98 -15.899 -14.946 -0.809 1.00 23.20 H new ATOM 0 HG22 VAL A 98 -15.230 -15.691 0.663 1.00 23.20 H new ATOM 0 HG23 VAL A 98 -14.502 -16.043 -0.923 1.00 23.20 H new ATOM 1586 N LEU A 99 -14.482 -17.522 1.921 1.00 1.34 N ATOM 1587 CA LEU A 99 -14.205 -17.303 3.337 1.00 21.50 C ATOM 1588 C LEU A 99 -14.071 -15.815 3.643 1.00 62.15 C ATOM 1589 O LEU A 99 -13.417 -15.077 2.906 1.00 73.53 O ATOM 1590 CB LEU A 99 -12.926 -18.037 3.746 1.00 52.14 C ATOM 1591 CG LEU A 99 -11.614 -17.301 3.472 1.00 21.13 C ATOM 1592 CD1 LEU A 99 -10.439 -18.069 4.058 1.00 73.41 C ATOM 1593 CD2 LEU A 99 -11.423 -17.089 1.978 1.00 41.33 C ATOM 0 H LEU A 99 -13.768 -17.158 1.290 1.00 1.34 H new ATOM 0 HA LEU A 99 -15.043 -17.698 3.911 1.00 21.50 H new ATOM 0 HB2 LEU A 99 -12.981 -18.255 4.812 1.00 52.14 H new ATOM 0 HB3 LEU A 99 -12.898 -18.994 3.226 1.00 52.14 H new ATOM 0 HG LEU A 99 -11.660 -16.324 3.954 1.00 21.13 H new ATOM 0 HD11 LEU A 99 -9.514 -17.530 3.853 1.00 73.41 H new ATOM 0 HD12 LEU A 99 -10.570 -18.168 5.135 1.00 73.41 H new ATOM 0 HD13 LEU A 99 -10.390 -19.059 3.606 1.00 73.41 H new ATOM 0 HD21 LEU A 99 -10.484 -16.564 1.802 1.00 41.33 H new ATOM 0 HD22 LEU A 99 -11.398 -18.055 1.474 1.00 41.33 H new ATOM 0 HD23 LEU A 99 -12.249 -16.496 1.586 1.00 41.33 H new ATOM 1605 N GLU A 100 -14.692 -15.382 4.735 1.00 54.01 N ATOM 1606 CA GLU A 100 -14.641 -13.982 5.138 1.00 44.40 C ATOM 1607 C GLU A 100 -15.319 -13.779 6.490 1.00 71.03 C ATOM 1608 O GLU A 100 -15.981 -14.681 7.005 1.00 1.40 O ATOM 1609 CB GLU A 100 -15.309 -13.099 4.082 1.00 11.20 C ATOM 1610 CG GLU A 100 -16.768 -13.443 3.836 1.00 35.12 C ATOM 1611 CD GLU A 100 -17.354 -12.693 2.656 1.00 61.15 C ATOM 1612 OE1 GLU A 100 -16.945 -12.976 1.510 1.00 3.23 O ATOM 1613 OE2 GLU A 100 -18.222 -11.823 2.878 1.00 71.14 O ATOM 0 H GLU A 100 -15.236 -15.980 5.356 1.00 54.01 H new ATOM 0 HA GLU A 100 -13.593 -13.696 5.230 1.00 44.40 H new ATOM 0 HB2 GLU A 100 -15.238 -12.057 4.394 1.00 11.20 H new ATOM 0 HB3 GLU A 100 -14.760 -13.189 3.145 1.00 11.20 H new ATOM 0 HG2 GLU A 100 -16.860 -14.515 3.662 1.00 35.12 H new ATOM 0 HG3 GLU A 100 -17.347 -13.214 4.731 1.00 35.12 H new ATOM 1620 N ILE A 101 -15.149 -12.590 7.058 1.00 32.10 N ATOM 1621 CA ILE A 101 -15.745 -12.269 8.349 1.00 51.21 C ATOM 1622 C ILE A 101 -16.891 -11.275 8.193 1.00 34.32 C ATOM 1623 O ILE A 101 -17.081 -10.693 7.125 1.00 2.12 O ATOM 1624 CB ILE A 101 -14.703 -11.684 9.320 1.00 24.43 C ATOM 1625 CG1 ILE A 101 -14.007 -10.476 8.690 1.00 20.10 C ATOM 1626 CG2 ILE A 101 -13.684 -12.747 9.706 1.00 14.25 C ATOM 1627 CD1 ILE A 101 -13.460 -9.497 9.705 1.00 40.44 C ATOM 0 H ILE A 101 -14.604 -11.833 6.645 1.00 32.10 H new ATOM 0 HA ILE A 101 -16.129 -13.203 8.760 1.00 51.21 H new ATOM 0 HB ILE A 101 -15.216 -11.353 10.223 1.00 24.43 H new ATOM 0 HG12 ILE A 101 -13.191 -10.826 8.058 1.00 20.10 H new ATOM 0 HG13 ILE A 101 -14.713 -9.958 8.041 1.00 20.10 H new ATOM 0 HG21 ILE A 101 -12.954 -12.319 10.393 1.00 14.25 H new ATOM 0 HG22 ILE A 101 -14.193 -13.580 10.191 1.00 14.25 H new ATOM 0 HG23 ILE A 101 -13.174 -13.104 8.811 1.00 14.25 H new ATOM 0 HD11 ILE A 101 -12.980 -8.666 9.187 1.00 40.44 H new ATOM 0 HD12 ILE A 101 -14.275 -9.118 10.321 1.00 40.44 H new ATOM 0 HD13 ILE A 101 -12.730 -10.000 10.339 1.00 40.44 H new ATOM 1639 N ARG A 102 -17.652 -11.085 9.266 1.00 34.40 N ATOM 1640 CA ARG A 102 -18.780 -10.162 9.249 1.00 52.40 C ATOM 1641 C ARG A 102 -18.408 -8.837 9.909 1.00 42.04 C ATOM 1642 O ARG A 102 -18.953 -7.788 9.567 1.00 35.32 O ATOM 1643 CB ARG A 102 -19.984 -10.779 9.964 1.00 65.02 C ATOM 1644 CG ARG A 102 -20.839 -11.660 9.067 1.00 4.52 C ATOM 1645 CD ARG A 102 -21.799 -10.833 8.227 1.00 52.31 C ATOM 1646 NE ARG A 102 -21.165 -10.322 7.015 1.00 53.35 N ATOM 1647 CZ ARG A 102 -21.681 -9.351 6.268 1.00 34.35 C ATOM 1648 NH1 ARG A 102 -22.833 -8.790 6.609 1.00 0.34 N ATOM 1649 NH2 ARG A 102 -21.045 -8.940 5.179 1.00 21.51 N ATOM 0 H ARG A 102 -17.508 -11.558 10.158 1.00 34.40 H new ATOM 0 HA ARG A 102 -19.043 -9.970 8.209 1.00 52.40 H new ATOM 0 HB2 ARG A 102 -19.631 -11.370 10.809 1.00 65.02 H new ATOM 0 HB3 ARG A 102 -20.603 -9.980 10.371 1.00 65.02 H new ATOM 0 HG2 ARG A 102 -20.196 -12.249 8.413 1.00 4.52 H new ATOM 0 HG3 ARG A 102 -21.403 -12.365 9.678 1.00 4.52 H new ATOM 0 HD2 ARG A 102 -22.661 -11.443 7.956 1.00 52.31 H new ATOM 0 HD3 ARG A 102 -22.173 -9.998 8.820 1.00 52.31 H new ATOM 0 HE ARG A 102 -20.277 -10.733 6.726 1.00 53.35 H new ATOM 0 HH11 ARG A 102 -23.325 -9.103 7.446 1.00 0.34 H new ATOM 0 HH12 ARG A 102 -23.227 -8.045 6.035 1.00 0.34 H new ATOM 0 HH21 ARG A 102 -20.159 -9.369 4.914 1.00 21.51 H new ATOM 0 HH22 ARG A 102 -21.442 -8.195 4.607 1.00 21.51 H new ATOM 1663 N GLU A 103 -17.476 -8.894 10.855 1.00 30.30 N ATOM 1664 CA GLU A 103 -17.033 -7.699 11.563 1.00 64.02 C ATOM 1665 C GLU A 103 -16.588 -6.619 10.581 1.00 44.10 C ATOM 1666 O GLU A 103 -16.795 -5.429 10.816 1.00 34.11 O ATOM 1667 CB GLU A 103 -15.886 -8.040 12.517 1.00 61.22 C ATOM 1668 CG GLU A 103 -15.285 -6.826 13.205 1.00 33.13 C ATOM 1669 CD GLU A 103 -14.284 -7.201 14.281 1.00 70.15 C ATOM 1670 OE1 GLU A 103 -14.714 -7.496 15.415 1.00 24.42 O ATOM 1671 OE2 GLU A 103 -13.070 -7.199 13.986 1.00 32.44 O ATOM 0 H GLU A 103 -17.013 -9.754 11.149 1.00 30.30 H new ATOM 0 HA GLU A 103 -17.875 -7.317 12.140 1.00 64.02 H new ATOM 0 HB2 GLU A 103 -16.249 -8.734 13.275 1.00 61.22 H new ATOM 0 HB3 GLU A 103 -15.104 -8.556 11.961 1.00 61.22 H new ATOM 0 HG2 GLU A 103 -14.795 -6.197 12.462 1.00 33.13 H new ATOM 0 HG3 GLU A 103 -16.084 -6.232 13.648 1.00 33.13 H new ATOM 1678 N GLU A 104 -15.974 -7.044 9.481 1.00 51.21 N ATOM 1679 CA GLU A 104 -15.499 -6.113 8.464 1.00 5.13 C ATOM 1680 C GLU A 104 -16.621 -5.185 8.009 1.00 40.14 C ATOM 1681 O GLU A 104 -16.482 -3.963 8.045 1.00 50.23 O ATOM 1682 CB GLU A 104 -14.935 -6.877 7.264 1.00 33.34 C ATOM 1683 CG GLU A 104 -14.477 -5.977 6.130 1.00 53.25 C ATOM 1684 CD GLU A 104 -13.621 -6.708 5.114 1.00 73.13 C ATOM 1685 OE1 GLU A 104 -12.539 -7.201 5.496 1.00 74.41 O ATOM 1686 OE2 GLU A 104 -14.033 -6.787 3.937 1.00 5.04 O ATOM 0 H GLU A 104 -15.794 -8.026 9.272 1.00 51.21 H new ATOM 0 HA GLU A 104 -14.707 -5.508 8.904 1.00 5.13 H new ATOM 0 HB2 GLU A 104 -14.094 -7.487 7.595 1.00 33.34 H new ATOM 0 HB3 GLU A 104 -15.696 -7.561 6.889 1.00 33.34 H new ATOM 0 HG2 GLU A 104 -15.349 -5.557 5.629 1.00 53.25 H new ATOM 0 HG3 GLU A 104 -13.912 -5.140 6.541 1.00 53.25 H new TER 1693 GLU A 104